SCHEMBL3120789

SCHEMBL3120789

COc1c(Cl)cc(N(C)c2nc(CN3C(=O)c4ccccc4C3=O)nc3ccccc23)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
PDGFRB P09619 3/20 0.43
KDR P35968 3/20 0.43
PDE10A Q9Y233 4/20 0.42
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.37
PTK2B Q14289 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 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
SCHEMBL3121307 0.89 EGFR (0.44) EGFRPDGFRBKDRPDE10AKDM4E
SCHEMBL92760 0.84 EGFR (0.58) EGFRPDGFRBKDRPDE10A
SCHEMBL3112893 0.83 KMT2A (0.42) EGFRPDGFRBKDRPDE10ANPSR1
SCHEMBL3112917 0.82 EGFR (0.50) EGFRPDGFRBKDR
Hydrochloric Acid SCHEMBL3107618 0.81 EGFR (0.49) EGFRPDGFRBKDR
SCHEMBL3118952 0.81 EGFR (0.49) EGFRPDGFRBKDR
Hydrochloric Acid SCHEMBL3113418 0.80 EGFR (0.48) EGFRPDGFRBKDR
SCHEMBL3114572 0.76 EGFR (0.45) EGFRPDGFRBKDRPDE10AKDM4E
SCHEMBL3113682 0.76 KMT2A (0.42) EGFRPDGFRBKDRPDE10ANPSR1
SCHEMBL3113664 0.75 RPS6KA2 (0.46) EGFRPDGFRBKDRPDE10ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
EP-2166589-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2166592-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2166590-A1 ORGANIC EL ELEMENT AND ORGANIC EL MATERIAL-CONTAINING SOLUTION Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2166591-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
EP-2133932-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2009-12-16 EP disclosed
EP-1572832-A1 ELECTROLUMINESCENT DEVICE Koninklijke Philips Electronics N.V. (NL) 2005-09-14 EP disclosed
WO-2004055129-A1 ELECTROLUMINESCENT DEVICE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-07-01 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 (2 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX EGFR 3147/4885PDGFRB 2783/4885KDR 3722/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2648/4885PDGFRB 2627/4885KDR 3809/4885

“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.