SCHEMBL3114572

SCHEMBL3114572

COc1ccc(N(C)c2nc(CN3C(=O)c4ccccc4C3=O)nc3ccc(-c4ccc(Cl)cc4)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.45
PDGFRB P09619 2/20 0.45
KDR P35968 2/20 0.45
RPS6KA2 Q15349 1/20 0.43
PDE10A Q9Y233 3/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
THRB P10828 1/20 0.40
CSF1R P07333 2/20 0.39
PIK3CD O00329 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ACP1 P24666 1/20 0.38

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
SCHEMBL3113664 0.95 RPS6KA2 (0.46) EGFRPDGFRBKDRRPS6KA2PDE10A
SCHEMBL3110811 0.85 RPS6KA2 (0.46) EGFRPDGFRBKDRRPS6KA2PDE10A
SCHEMBL92760 0.85 EGFR (0.58) EGFRPDGFRBKDRRPS6KA2PDE10A
SCHEMBL3108791 0.81 EGFR (0.48) EGFRPDGFRBKDRHPGDAURKA
SCHEMBL3114570 0.80 ACP1 (0.49) HPGDCASP3KDM4EACP1
SCHEMBL3111926 0.77 EGFR (0.51) EGFRPDGFRBKDRCASP3CSF1R
SCHEMBL3121307 0.76 EGFR (0.44) EGFRPDGFRBKDRPDE10ATHRB
SCHEMBL3120789 0.76 EGFR (0.43) EGFRPDGFRBKDRPDE10AKDM4E
SCHEMBL3112893 0.71 KMT2A (0.42) EGFRPDGFRBKDRPDE10ATHRB
SCHEMBL3114872 0.69 EGFR (0.72) EGFRPDGFRBKDRAURKAAURKB

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
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
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 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 (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.