SCHEMBL6301936

SCHEMBL6301936

CN(Cc1ccccn1)C(=O)c1cc2nccc(Cl)c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7B Q9NP56 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
PDK1 Q15118 1/20 0.41
POLB P06746 1/20 0.40
PYGL P06737 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.39
SYK P43405 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NTRK1 P04629 1/20 0.38
HDAC3 O15379 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38

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
SCHEMBL6302251 0.81 HDAC3 (0.44) NPC1PDK1HDAC3TUBB4ATUBB
SCHEMBL3569070 0.80 ICAM1 (0.40) RAB9ANPC1HPGDSYKKMT2A
SCHEMBL5242906 0.80 KMT2A (0.41) PDE7BRAB9ANPC1HPGDKMT2A
SCHEMBL307433 0.78 GRIN3B (0.36) RAB9ANPC1HPGDKMT2AHDAC3
SCHEMBL5243258 0.78 KMT2A (0.40) RAB9ANPC1HPGDSYKKMT2A
SCHEMBL4593226 0.76 GRIN3B (0.37) RAB9ANPC1KMT2AHDAC3HDAC4
SCHEMBL6308689 0.73 EGFR (0.54) PYGLSYKKDM4E
SCHEMBL12529816 0.73 ALDH1A1 (0.60) RAB9ANPC1KMT2AKDM4ENTRK1
SCHEMBL5241650 0.73 GRIN3B (0.40) NPC1KMT2A
SCHEMBL12315033 0.72 NPC1 (0.46) PDE7BRAB9ANPC1HPGDNTRK1

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-6964961-B2 Thiophene derivatives useful as anticancer agents PFIZER INC (US) 2005-11-15 US disclosed
EP-1287001-B1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-29 EP disclosed
EP-1287001-A1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2003-03-05 EP disclosed
US-20020042409-A1 Thiophene derivatives useful as anticancer agents PFIZER PRODUCTS INC. 2002-04-11 US disclosed
WO-2001094353-A1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2001-12-13 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-20020042409-A1 Thiophene derivatives useful as anticancer agents TP53, RCC1, CCNA1 PDE7B 4190/4885RAB9A 1128/4885NPC1 387/4885

“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.