SCHEMBL3943776

SCHEMBL3943776

CCN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(Cl)ccc43)c3ccc4c(c3)OCO4)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EGFR P00533 1/20 0.37
INSR P06213 1/20 0.37
IGF1R P08069 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL5858392 1.00 RAB9A (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3935241 0.94 AAK1 (0.41) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3936701 0.94 AAK1 (0.41) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5858385 0.88 PDGFRB (0.36) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4505579 0.87 DRD4 (0.44) RAB9ANPC1SMN1; SMN2TP53NPSR1
SCHEMBL4505574 0.87 DRD4 (0.44) RAB9ANPC1SMN1; SMN2TP53NPSR1
SCHEMBL5857099 0.87 NPC1 (0.41) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3941020 0.87 NPC1 (0.41) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3933269 0.86 AAK1 (0.42) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3935853 0.86 AAK1 (0.42) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 3709/4885NPC1 4723/4885SMN1; SMN2 4299/4885

“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.