SCHEMBL5856936

SCHEMBL5856936

CN(C)CC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)oc(=O)n3C)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 1/20 0.37
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
PIK3CB P42338 1/20 0.34

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
SCHEMBL3935651 0.93 TP53 (0.38) KDM4ETP53MAPTLMNAPOLB
SCHEMBL3933356 0.89 AAK1 (0.40) KDM4ETP53MAPTPOLBTDP1
SCHEMBL3937682 0.87 KDM4E (0.39) KDM4ETP53MAPTLMNAPOLB
SCHEMBL3945313 0.87 KDM4E (0.38) KDM4ETP53MAPTLMNAPOLB
SCHEMBL3934197 0.86 KDM4E (0.39) KDM4ETP53MAPTLMNAPOLB
SCHEMBL227306 0.86 KDR (0.37) KDM4EMAPTLMNAPOLBKMT2A
SCHEMBL227305 0.86 KDR (0.37) KDM4EMAPTLMNAPOLBKMT2A
SCHEMBL3930243 0.85 KDM4E (0.37) KDM4ETP53MAPTLMNAPOLB
SCHEMBL5858496 0.85 NPC1 (0.43) KDM4ETP53MAPTLMNATDP1
SCHEMBL3938269 0.85 NPC1 (0.43) KDM4ETP53MAPTLMNATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 902/4885TP53 398/4885MAPT 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.