SCHEMBL5499013

SCHEMBL5499013

CCN(CC)CCNCC(=O)Nc1cccc(Nc2ncc(-c3ccsc3)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.44
CTSL P07711 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.40
EGFR P00533 1/20 0.39
JAK3 P52333 1/20 0.39
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CHEK2 O96017 1/20 0.37
FYN P06241 1/20 0.37
MAP3K5 Q99683 1/20 0.37
CDK2 P24941 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
ABL1 P00519 1/20 0.36
PDGFRB P09619 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL14342347 0.87 CTSC (0.45) CTSCCTSLJAK3CHEK2FYN
SCHEMBL5503211 0.85 ALDH1A1 (0.45) CTSCCTSLALDH1A1EGFRJAK3
SCHEMBL14342368 0.83 EGFR (0.54) CTSCCTSLALDH1A1EGFRJAK3
SCHEMBL5534432 0.82 CTSC (0.52) CTSCCTSLALDH1A1EGFRJAK3
SCHEMBL5526330 0.80 TSHR (0.43) CTSCCTSLKDM4EALDH1A1EGFR
SCHEMBL5494608 0.79 CTSC (0.40) CTSCCTSLALDH1A1EGFRJAK3
SCHEMBL5494755 0.78 CTSC (0.64) CTSCCTSLALDH1A1CCNT1CDK9
SCHEMBL5500015 0.77 CHEK2 (0.42) CTSCALDH1A1JAK3CHEK2FYN
SCHEMBL5495523 0.76 ALDH1A1 (0.47) CTSCKDM4EALDH1A1CHEK2ADORA3
SCHEMBL5503212 0.76 POLB (0.57) CTSCCTSLKDM4EALDH1A1EGFR

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 4370/4885KDM4E 1354/4885

“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.