SCHEMBL3943086

SCHEMBL3943086

CN1CCN(Cc2ccc(N/C(=C3\C(=O)Nc4cc(Cl)ccc43)c3ccc4oc(=O)[nH]c4c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.42
NTRK1 P04629 3/20 0.40
TRPV1 Q8NER1 2/20 0.40
PLK1 P53350 1/20 0.40
PIM1 P11309 3/20 0.39
PIM2 Q9P1W9 3/20 0.39
F10 P00742 2/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX3 P56373 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
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
PIM3 Q86V86 1/20 0.37
LMNA P02545 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
SCHEMBL3933359 0.94 RET (0.42) RETNTRK1PLK1PIM1PIM2
SCHEMBL3936498 0.90 PIM1 (0.40) TRPV1PIM1PIM2DRD2DRD4
SCHEMBL3939182 0.87 PDGFRB (0.40) RETNTRK1TRPV1PIM1PIM2
SCHEMBL3937532 0.85 LMNA (0.39) TRPV1F10P2RX3LMNACYP1A2
SCHEMBL3936859 0.85 NTRK1 (0.40) RETNTRK1PLK1PIM1PIM2
SCHEMBL3933162 0.84 LMNA (0.39) TRPV1P2RX3GAAMAPTLMNA
SCHEMBL4493647 0.84 PLK1 (0.46) RETNTRK1PLK1PIM1PIM2
SCHEMBL4493644 0.84 PLK1 (0.46) RETNTRK1PLK1PIM1PIM2
SCHEMBL5858194 0.84 ENPP2 (0.41) PIM1PIM2
SCHEMBL3939876 0.83 ALK (0.49) RETALDH1A1MAPTHPGDLMNA

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 RET 90/4885NTRK1 653/4885TRPV1 2978/4885

“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.