SCHEMBL2080468

SCHEMBL2080468

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ TSHR P16473 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PDE4D Q08499 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ HPGD P15428 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ MAPT P10636 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KMT2A Q03164 2/20 0.44

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
SCHEMBL2085500 0.86 ATM (0.47) ALDH1A1SMN1; SMN2PDE4DLMNAHPGD
SCHEMBL4050492 0.85 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2PDE4DLMNA
SCHEMBL16317148 0.84 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2PDE4DLMNA
SCHEMBL2899043 0.83 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2PDE4DLMNA
SCHEMBL2081991 0.81 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2PDE4DLMNA
SCHEMBL2083765 0.80 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2PDE4DLMNA
SCHEMBL2082551 0.79 SMN1; SMN2 (0.58) ALDH1A1TSHRSMN1; SMN2LMNACYP1A2
SCHEMBL4704914 0.79 PDE4D (0.52) ALDH1A1TSHRSMN1; SMN2PDE4DLMNA
SCHEMBL14357218 0.77 KMT2A (0.55) ALDH1A1TSHRSMN1; SMN2PDE4DLMNA
SCHEMBL22122108 0.77 HPGD (0.52) ALDH1A1TSHRSMN1; SMN2LMNACYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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

For each of this compound's patents that has machine-readable text (4 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-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.

Send feedback