SCHEMBL5502963

SCHEMBL5502963

Nc1ccc(Nc2ncc(-c3ccsc3)cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 9/20 0.59
CTSL P07711 2/20 0.59
SYK P43405 1/20 0.45
IKBKB O14920 1/20 0.43
CYP2A6 P11509 4/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL5499926 0.86 POLB (0.51) CTSCCTSLIKBKETBK1PDGFRB
SCHEMBL5496551 0.84 CTSC (0.44) CTSCCTSLSYKIKBKBCYP2A6
SCHEMBL5499607 0.82 CTSC (0.62) CTSCCTSLSYK
SCHEMBL5508263 0.81 CHEK2 (0.56) CTSCCTSLSYKIKBKBIKBKE
SCHEMBL5495854 0.81 PDGFRB (0.52) CTSCSYKCYP2A6PDGFRBPDGFRA
SCHEMBL5503392 0.80 CTSC (0.42) CTSCCTSLCYP2A6CYP2B6CYP2E1
SCHEMBL5501205 0.79 CTSC (0.62) CTSCCTSLCYP3A4CYP2C9CYP2C19
SCHEMBL5496471 0.76 CTSC (0.49) CTSCCTSLIKBKBIKBKETBK1
SCHEMBL5504631 0.76 AURKA (0.49) CTSCSYKCYP2A6CYP2B6CYP2E1
SCHEMBL5499160 0.76 SYK (0.53) SYK

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
US-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 US claimed
EP-1753750-A1 THIOPHENE HETEROARYL AMINES Sugen, Inc. (US) 2007-02-21 EP claimed
WO-2005113548-A1 THIOPHENE HETEROARYL AMINES SUGEN, INC. (US) 2005-12-01 WO claimed
US-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 US disclosed
US-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 US disclosed
US-20070293484-A1 Thiophene Heteroaryl Amines SUGEN, INC. 2007-12-20 US disclosed
EP-1753750-A1 THIOPHENE HETEROARYL AMINES Sugen, Inc. (US) 2007-02-21 EP disclosed
WO-2005113548-A1 THIOPHENE HETEROARYL AMINES SUGEN, INC. (US) 2005-12-01 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 (1 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-20070293484-A1 Thiophene Heteroaryl Amines TTK, CHEK2, ABL1 CTSC 2987/4885CTSL 4370/4885SYK 720/4885

“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.