SCHEMBL4933046

SCHEMBL4933046

CCOC(=O)c1c(C(F)(F)F)nn(C(C)(C)C)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 4/20 0.46
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43

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
SCHEMBL4625129 0.84 KDM4E (0.47) TSHRALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL22286228 0.83 MAPK1 (0.46) TSHRALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL22286138 0.82 MAPK1 (0.53) TSHRALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL20551901 0.79 PLAT (0.47) TSHRALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL20551865 0.79 MAPK1 (0.43) TSHRALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL20551457 0.77 MAPK1 (0.41) TSHRALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL10568422 0.77 LMNA (0.61) TSHRALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL10006085 0.75 MAPK1 (0.44) TSHRALDH1A1HPGDNPSR1KDM4E
SCHEMBL10006084 0.75 MAPK1 (0.44) TSHRALDH1A1HPGDNPSR1KDM4E
SCHEMBL8787277 0.75 KMT2A (0.44) ALDH1A1HPGDSMN1; SMN2KDM4EGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4077329-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PLATINUM-RESISTANT CANCER Imperial College Innovations Limited (GB) 2022-10-26 EP disclosed
US-20120172379-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
US-20120172379-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
US-20120172379-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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 (2 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-20120172379-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES MAP4K5, MAP4K4, MAP4K2 TSHR 3959/4885ALDH1A1 2643/4885HPGD 1749/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 TSHR 2906/4885ALDH1A1 4305/4885HPGD 2459/4885

“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.