SCHEMBL3935853

SCHEMBL3935853

CN1CCN(CC(=O)N(C)c2ccc(NC(=C3C(=O)Nc4cc(Br)ccc43)c3ccc4c(c3)OCO4)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.42
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
MITF O75030 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MCL1 Q07820 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
USP2 O75604 1/20 0.39
F2 P00734 1/20 0.39
INSR P06213 4/20 0.38
ALK Q9UM73 4/20 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
SCHEMBL3933269 1.00 AAK1 (0.42) AAK1MAPK1MAPTMITFHSP90AA1
SCHEMBL3936701 0.92 AAK1 (0.41) AAK1MAPK1MAPTNPSR1NPC1
SCHEMBL3935241 0.92 AAK1 (0.41) AAK1MAPK1MAPTNPSR1NPC1
SCHEMBL3935535 0.92 ALDH1A1 (0.43) AAK1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3935532 0.92 ALDH1A1 (0.43) AAK1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3933352 0.90 AAK1 (0.40) AAK1MAPK1MAPTMITFHSP90AA1
SCHEMBL3931942 0.90 AAK1 (0.46) AAK1MAPK1MAPTNPSR1NPC1
SCHEMBL3933357 0.90 AAK1 (0.40) AAK1MAPK1MAPTMITFHSP90AA1
SCHEMBL3931946 0.90 AAK1 (0.46) AAK1MAPK1MAPTNPSR1NPC1
SCHEMBL3935371 0.90 AAK1 (0.40) AAK1MAPTNPC1RAB9ASMN1; 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 5 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 claimed
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 claimed
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 claimed
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 AAK1 1459/4885MAPK1 311/4885MAPT 1798/4885

“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.