SCHEMBL4225543

SCHEMBL4225543

COc1cc2nc(NCCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc(N)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.50
NPY5R Q15761 1/20 0.50
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
HMOX1 P09601 1/20 0.44

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
SCHEMBL4230333 0.86 TP53 (0.44) TP53MAPTPOLBBLM
SCHEMBL30526270 0.73 TP53 (0.56) TP53MAPTPOLBBLM
SCHEMBL10837757 0.73 TP53 (0.56) TP53MAPTPOLBBLM
SCHEMBL20280946 0.73 TP53 (0.56) TP53MAPTPOLBBLM
SCHEMBL20281057 0.73 POLB (0.57) MAPTPOLB
SCHEMBL20280937 0.73 HIF1A (0.46) TP53MAPT
SCHEMBL20280939 0.72 HDAC3 (0.42) TP53MAPT
SCHEMBL8758459 0.72 NPY1R (0.56) NPY1RNPY5RTP53MAPTPOLB
SCHEMBL23260498 0.69 EHMT2 (0.62) TP53MAPTPOLBBLM
SCHEMBL10837396 0.69 KDM4E (0.48) TP53MAPTPOLBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814372-B2 Agonists of EPHA and their uses CASE WESTERN RESERVE UNIVERSITY (US) 2023-11-14 US disclosed
US-20190002446-A1 AGONISTS OF EPHA AND THEIR USES CASE WESTERN RESERVE UNIVERSITY 2019-01-03 US disclosed
US-8377948-B2 Antitumor agents and methods of their use THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-19 US disclosed
US-8377948-B2 Antitumor agents and methods of their use THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-19 US disclosed
US-8377948-B2 Antitumor agents and methods of their use THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-19 US disclosed
US-20090048265-A1 NOVEL ANTITUMOR AGENTS AND METHODS OF THEIR USE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-02-19 US disclosed
US-20090048265-A1 NOVEL ANTITUMOR AGENTS AND METHODS OF THEIR USE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-02-19 US disclosed
US-20090048265-A1 NOVEL ANTITUMOR AGENTS AND METHODS OF THEIR USE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-02-19 US disclosed
WO-2006002088-A2 AMINO-QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-01-05 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 (3 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-11814372-B2 Agonists of EPHA and their uses EPHA2, EPHA7, EPHA1 NPY1R 368/4885NPY5R 423/4885TP53 377/4885
US-20090048265-A1 NOVEL ANTITUMOR AGENTS AND METHODS OF THEIR USE ADRB1, ADRA2A, ADRA1A NPY1R 2579/4885NPY5R 3209/4885TP53 133/4885
US-20190002446-A1 AGONISTS OF EPHA AND THEIR USES EPHA2, EPHA7, EPHA1 NPY1R 368/4885NPY5R 423/4885TP53 377/4885

“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.