SCHEMBL6710645

SCHEMBL6710645

C=CCc1nocc1C(=O)Nc1ccc(C(F)(F)F)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 6/20 0.46
KDR P35968 5/20 0.46
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
CBLB Q13191 2/20 0.40
PTGES O14684 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SORT1 Q99523 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
BRAF P15056 1/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 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
SCHEMBL6708903 0.84 FLT1 (0.45) FLT1KDRCBLBPTGESSMN1; SMN2
SCHEMBL6707208 0.83 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL6707284 0.83 FLT1 (0.51) FLT1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL6708053 0.81 FLT1 (0.46) FLT1KDRNPC1RAB9APTGES
SCHEMBL6709528 0.78 KIF11 (0.43) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9182578 0.71 RAB9A (0.69) FLT1KDRNPC1RAB9ASMN1; SMN2
SCHEMBL6710587 0.69 FLT1 (0.64) FLT1KDRSMN1; SMN2LMNAHTT
SCHEMBL6709302 0.69 FLT1 (0.51) FLT1KDRNPC1RAB9APTGES
SCHEMBL23974251 0.68 MAP2K1 (0.54) KDRSMN1; SMN2LMNAHTTMEN1
SCHEMBL8045733 0.67 CRACR2A (0.51) FLT1KDRNPC1RAB9ASMN1; SMN2

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 FLT1 727/4885KDR 633/4885NPC1 2134/4885
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC FLT1 727/4885KDR 633/4885NPC1 2134/4885

“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.