SCHEMBL5496471

SCHEMBL5496471

O=C(CCl)Nc1ccc(Nc2ncc(-c3ccsc3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 5/20 0.49
NPC1 O15118 2/20 0.46
MITF O75030 2/20 0.46
RAB9A P51151 2/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NOD2 Q9HC29 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
CTSL P07711 2/20 0.42
PRMT1 Q99873 1/20 0.41

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
SCHEMBL5534432 0.88 CTSC (0.52) CTSCMITFRAB9AALDH1A1HTT
SCHEMBL5501205 0.84 CTSC (0.62) CTSCNPC1RAB9AHTTSMN1; SMN2
SCHEMBL5495523 0.83 ALDH1A1 (0.47) CTSCALDH1A1SMN1; SMN2IKBKETBK1
SCHEMBL5499974 0.83 KDM4E (0.49) NPC1RAB9AALDH1A1HTTMEN1
SCHEMBL5496170 0.81 MGLL (0.48) CTSCRAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL5494719 0.80 ATM (0.52) NPC1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL5496551 0.79 CTSC (0.44) CTSCCTSLIKBKB
SCHEMBL5500635 0.79 HRH3 (0.43) CTSCNPSR1ALDH1A1HTTSMN1; SMN2
SCHEMBL5508263 0.79 CHEK2 (0.56) CTSCIKBKETBK1CTSLIKBKB
SCHEMBL5499148 0.78 MEN1 (0.43) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2987/4885NPC1 2133/4885MITF 1251/4885

“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.