SCHEMBL3937682

SCHEMBL3937682

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)oc(=O)n3C)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.38
LSS P48449 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 3/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CB P42338 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
SCHEMBL3942544 0.92 KDM4E (0.38) KDM4EPKMMAPTKMT2ATP53
SCHEMBL3942935 0.88 MAPT (0.39) KDM4EPKMMAPTKMT2ATP53
SCHEMBL3934197 0.88 KDM4E (0.39) KDM4EPKMMAPTKMT2ATP53
SCHEMBL5856936 0.87 KDM4E (0.39) KDM4EPKMMAPTKMT2ATP53
SCHEMBL3936859 0.87 NTRK1 (0.40) KDM4EPKMMAPTTP53HPGD
SCHEMBL3945313 0.86 KDM4E (0.38) KDM4EPKMMAPTKMT2ATP53
SCHEMBL3935651 0.86 TP53 (0.38) KDM4EPKMMAPTKMT2ATP53
SCHEMBL3933015 0.85 PKM (0.38) KDM4EPKMMAPTKMT2ATP53
SCHEMBL3930243 0.84 KDM4E (0.37) KDM4EPKMMAPTKMT2ATP53
SCHEMBL227369 0.84 LSS (0.48) KDM4ELSSMAPTKMT2AALDH1A1

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 KDM4E 902/4885PKM 303/4885LSS 2636/4885

“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.