SCHEMBL953931

SCHEMBL953931

Cc1nn2ccsc2c1C#N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.46
TSHR P16473 1/20 0.33
NTRK1 P04629 4/20 0.31
PIM1 P11309 4/20 0.31
ACVR1 Q04771 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL955983 0.64 PIK3CG (0.54) PIK3CGTSHRNTRK1PIM1ALDH1A1
SCHEMBL10556141 0.63 PIK3CG (1.00) PIK3CGTSHRNTRK1PIM1ACVR1
SCHEMBL25680977 0.60 PIK3CG (0.57) PIK3CGNTRK1PIM1ACVR1ALDH1A1
SCHEMBL4354498 0.58 ALDH1A1 (0.41) PIK3CGTSHRNTRK1PIM1ACVR1
SCHEMBL18578663 0.58 PIK3CG (0.54) PIK3CGNTRK1PIM1ACVR1ALDH1A1
SCHEMBL952390 0.57 ALOX12 (0.54) ALDH1A1LMNATDP1
SCHEMBL7636742 0.56 LMNA (0.30) LMNA
SCHEMBL23284547 0.55 PIK3CG (0.37) PIK3CGTSHRNTRK1PIM1ACVR1
SCHEMBL1821874 0.55 TSHR (0.47) PIK3CGTSHRALDH1A1MEN1LMNA
SCHEMBL29196315 0.55 PIK3CG (0.37) PIK3CGTSHRNTRK1PIM1ACVR1

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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 PIK3CG 22/4885TSHR 1608/4885NTRK1 3800/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PIK3CG 18/4885TSHR 2433/4885NTRK1 3423/4885

“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.