SCHEMBL3936859

SCHEMBL3936859

CN1CCN(Cc2ccc(N/C(=C3\C(=O)Nc4cc(Cl)ccc43)c3ccc4c(c3)oc(=O)n4C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.40
RET P07949 1/20 0.40
PLK1 P53350 1/20 0.40
F10 P00742 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
DDR2 Q16832 1/20 0.37
PKM P14618 1/20 0.36
KIT P10721 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 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
SCHEMBL3942264 0.90 PIM1 (0.39) KDM4EPIM1PIM2TP53MAPT
SCHEMBL3933356 0.87 AAK1 (0.40) NTRK1RETKDM4EPIM1PIM2
SCHEMBL3937682 0.87 KDM4E (0.39) KDM4ETP53MAPTHPGDPKM
SCHEMBL3933359 0.86 RET (0.42) NTRK1RETPLK1F10PIM1
SCHEMBL3942935 0.86 MAPT (0.39) KDM4ETP53MAPTHPGDPKM
SCHEMBL3942544 0.85 KDM4E (0.38) F10KDM4ETP53MAPTHPGD
SCHEMBL3943086 0.85 RET (0.42) NTRK1RETPLK1F10PIM1
SCHEMBL4493644 0.84 PLK1 (0.46) NTRK1RETPLK1F10PIM1
SCHEMBL4493647 0.84 PLK1 (0.46) NTRK1RETPLK1F10PIM1
SCHEMBL3939787 0.83 ALK (0.49) RETTP53L3MBTL1MAPTHPGD

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 NTRK1 653/4885RET 90/4885PLK1 86/4885

“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.