SCHEMBL3933896

SCHEMBL3933896

Cn1nnc2cc(/C(Nc3ccc(C(C)(C)N)cc3)=C3/C(=O)Nc4ccccc43)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 7/20 0.45
KDM4E B2RXH2 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
AHR P35869 1/20 0.38
HCAR3 P49019 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 3/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 3/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3943285 0.86 NPC1 (0.43) RAB9AKMT2ANPC1KDM4ESMN1; SMN2
SCHEMBL3933909 0.84 RAB9A (0.46) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL3933903 0.84 RAB9A (0.46) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL3933391 0.81 MAPT (0.39) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6323523 0.80 TDP1 (0.40) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3939197 0.77 NPC1 (0.48) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL3934620 0.76 MAPT (0.37) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3157920 0.74 BACE1 (0.42) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL2568537 0.73 KMT2A (0.43) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4487044 0.73 CES1 (0.39) RAB9AMEN1KMT2ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 RAB9A 3709/4885MEN1 1664/4885KMT2A 1839/4885

“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.