SCHEMBL5495448

SCHEMBL5495448

O=C(O)c1cccc(Nc2ncc(-c3ccsc3)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
PRKCA P17252 1/20 0.50
CHEK2 O96017 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
AURKA O14965 3/20 0.46
CTSC P53634 2/20 0.46
CTSL P07711 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
CSNK2A2 P19784 3/20 0.45
CSNK2B P67870 3/20 0.45
CSNK2A1 P68400 2/20 0.44
IKBKB O14920 1/20 0.43

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
SCHEMBL5500805 0.94 RHOA (0.48) RHOANPC1RAB9AABL1BCR
SCHEMBL5500283 0.89 CTSC (0.51) CHEK2AURKACTSCCTSLSYK
SCHEMBL5523916 0.88 KCNK3 (0.52) NPC1RAB9AABL1BCRPRKCA
SCHEMBL5499256 0.88 RHOA (0.42) RHOANPC1RAB9AABL1BCR
SCHEMBL5513122 0.81 CTSC (0.52) ABL1CHEK2HDAC3HDAC1HDAC2
SCHEMBL5494755 0.81 CTSC (0.64) NPC1RAB9AABL1AURKACTSC
SCHEMBL27039947 0.81 RHOA (0.52) RHOANPC1RAB9AABL1BCR
SCHEMBL27040648 0.80 RHOA (0.60) RHOANPC1RAB9AABL1BCR
SCHEMBL5504570 0.80 RHOA (0.53) RHOANPC1RAB9AABL1BCR
SCHEMBL29836837 0.80 RHOA (0.50) RHOANPC1RAB9AABL1BCR

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 RHOA 1263/4885NPC1 2133/4885RAB9A 937/4885

“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.