SCHEMBL2083765

SCHEMBL2083765

CCOC(=O)c1ccc(-n2nc(C(F)(F)F)cc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PDE4D Q08499 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 1/20 0.48
HPGD P15428 4/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
HSP90AA1 P07900 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2081991 0.89 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2PDE4DLMNA
SCHEMBL4051322 0.87 KLKB1 (0.49) ALDH1A1SMN1; SMN2LMNAHPGDHTT
SCHEMBL537426 0.86 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2HPGDHTT
SCHEMBL3556331 0.86 ORAI1 (0.54) ALDH1A1TSHRSMN1; SMN2HPGDHTT
SCHEMBL22143177 0.86 PTGS1 (0.56) ALDH1A1SMN1; SMN2LMNAHPGDHTT
SCHEMBL31254695 0.84 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2HPGDHTT
SCHEMBL29864375 0.84 TP53 (0.49) ALDH1A1TSHRSMN1; SMN2PDE4DHPGD
SCHEMBL22143078 0.84 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2LMNACYP1A2
SCHEMBL13404460 0.83 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2HPGDHTT
SCHEMBL4050492 0.83 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2PDE4DLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 US disclosed
US-11485736-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2022-11-01 US disclosed
CN-113164485-A Substituted pyrazolopyrimidines and substituted purines and their use as inhibitors of ubiquitin-specific processing protease 1(USP1) KSQ治疗公司 2021-07-23 CN disclosed
US-20210115049-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2021-04-22 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 ALDH1A1 598/4885TSHR 3538/4885SMN1; SMN2 1883/4885
US-20210115049-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 ALDH1A1 598/4885TSHR 3538/4885SMN1; SMN2 1883/4885
US-11485736-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 ALDH1A1 598/4885TSHR 3538/4885SMN1; SMN2 1883/4885
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 ALDH1A1 598/4885TSHR 3538/4885SMN1; SMN2 1883/4885
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 ALDH1A1 1756/4885TSHR 4549/4885SMN1; SMN2 4040/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 ALDH1A1 3608/4885TSHR 4185/4885SMN1; SMN2 1101/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK ALDH1A1 1036/4885TSHR 3697/4885SMN1; SMN2 3782/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 ALDH1A1 1274/4885TSHR 3699/4885SMN1; SMN2 2868/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.