SCHEMBL6712467

SCHEMBL6712467

O=C(Nc1ccc(C(F)(F)F)cc1)c1c[nH]nc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
PTGS1 P23219 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
THRB P10828 1/20 0.47
PIM1 P11309 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
AGTR1 P30556 1/20 0.47
CCKBR P32239 1/20 0.47

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
SCHEMBL6707219 0.80 SMN1; SMN2 (0.56) NR3C1SMN1; SMN2PTGS1NPC1RAB9A
SCHEMBL6709286 0.79 SMN1; SMN2 (0.49) NR3C1RXFP1SMN1; SMN2PTGS1NPC1
SCHEMBL24582602 0.75 MCHR1 (0.40) NR3C1MCHR1
SCHEMBL8063449 0.74 DHODH (0.73) NR3C1RXFP1SMN1; SMN2PTGS1NPC1
SCHEMBL6710641 0.74 RAB9A (0.58) RXFP1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6710638 0.74 FFAR1 (0.49) SMN1; SMN2PTGS1NPC1RAB9AGMNN
SCHEMBL6707138 0.74 SMN1; SMN2 (0.48) SMN1; SMN2PTGS1NPC1RAB9AGMNN
SCHEMBL6709425 0.70 EPAS1 (0.47) NR3C1RXFP1NPC1RAB9ATRPV1
SCHEMBL6707253 0.70 MEN1 (0.52) RXFP1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6709542 0.70 RAB9A (0.43) RXFP1SMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders SUGEN, INC. 2004-05-27 US disclosed
US-6649635-B2 For therapy of cancer SUGEN, INC. 2003-11-18 US disclosed
US-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders MCMAHON GERALD (US) 2002-05-30 US disclosed
EP-1012150-A4 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN INC (US) 2002-05-29 EP disclosed
US-6316479-B1 ANTICANCER AGENTS SUGEN, INC. 2001-11-13 US disclosed
EP-1012150-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS Sugen, Inc. (US) 2000-06-28 EP disclosed
WO-1998052944-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN, INC. (US) 1998-11-26 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 (2 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-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC NR3C1 3377/4885RXFP1 4644/4885SMN1; SMN2 2016/4885
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC NR3C1 3377/4885RXFP1 4644/4885SMN1; SMN2 2016/4885

“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.