SCHEMBL2199571

SCHEMBL2199571

CSc1nccc(-c2ccc(C=O)s2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PFKFB3 Q16875 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP8 P22894 4/20 0.41
MMP3 P08254 2/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4479002 0.82 LMNA (0.45) GABRA1LMNAKDM4EHPGDALDH1A1
SCHEMBL4479001 0.82 LMNA (0.45) GABRA1LMNAKDM4EHPGDALDH1A1
SCHEMBL1108275 0.80 KDM4E (0.46) LMNAKDM4EHPGDALDH1A1CYP2E1
SCHEMBL8290784 0.79 LMNA (0.53) GABRA1LMNAKDM4EHPGDALDH1A1
SCHEMBL4483645 0.78 LMNA (0.41) GABRA1LMNAKDM4EHPGDALDH1A1
SCHEMBL4483641 0.78 LMNA (0.41) GABRA1LMNAKDM4EHPGDALDH1A1
SCHEMBL4486942 0.78 GABRA1 (0.43) GABRA1LMNAKDM4EHPGDALDH1A1
SCHEMBL4486940 0.78 GABRA1 (0.43) GABRA1LMNAKDM4EHPGDALDH1A1
SCHEMBL1098372 0.76 CYP2A6 (0.49) GABRA1KDM4EHPGDALDH1A1CYP2E1
SCHEMBL2197193 0.76 LMNA (0.50) GABRA1LMNAKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
EP-1948647-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-07-30 EP disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
WO-2007053776-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-10 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-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators MAP3K20, MAP3K6, MAP4K2 GABRA1 3679/4885LMNA 4782/4885KDM4E 647/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 GABRA1 3679/4885LMNA 4782/4885KDM4E 647/4885

“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.