SCHEMBL3942550

SCHEMBL3942550

CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(F)ccc43)c3ccc4c(c3)CCO4)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
MELK Q14680 5/20 0.38
BRD4 O60885 1/20 0.37
NTRK1 P04629 2/20 0.36
NTRK3 Q16288 2/20 0.36
ABL1 P00519 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 2/20 0.35
NTRK2 Q16620 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
SCHEMBL5858286 1.00 AAK1 (0.40) AAK1MELKBRD4NTRK1NTRK3
SCHEMBL5856625 0.94 AAK1 (0.40) AAK1MELKBRD4NTRK1NTRK3
SCHEMBL3940669 0.94 AAK1 (0.40) AAK1MELKBRD4NTRK1NTRK3
SCHEMBL3943687 0.92 AAK1 (0.40) AAK1MELKBRD4NTRK1NTRK3
SCHEMBL5859319 0.92 AAK1 (0.40) AAK1MELKBRD4NTRK1NTRK3
SCHEMBL3944448 0.92 AAK1 (0.49) AAK1MELKBRD4NTRK1NTRK3
SCHEMBL3944458 0.92 AAK1 (0.49) AAK1MELKBRD4NTRK1NTRK3
SCHEMBL3935535 0.90 ALDH1A1 (0.43) AAK1MELKNTRK1NTRK3ABL1
SCHEMBL3935532 0.90 ALDH1A1 (0.43) AAK1MELKNTRK1NTRK3ABL1
SCHEMBL3937823 0.90 AAK1 (0.39) AAK1MELKBRD4NTRK1NTRK3

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 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
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP 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
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 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 (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 1459/4885MELK 290/4885BRD4 885/4885

“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.