SCHEMBL4230732

SCHEMBL4230732

Nc1nc(Cl)nc2cc(O)c(O)cc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
EGFR P00533 3/20 0.34
KDR P35968 3/20 0.34
TARS1 P26639 3/20 0.34
MAP4K4 O95819 1/20 0.33
LMNA P02545 1/20 0.32
SRC P12931 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
DHFR P00374 1/20 0.31
NQO1 P15559 1/20 0.31
HTR3A P46098 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL6168673 0.76 HTT (0.53) HTTDHFR
SCHEMBL10015393 0.76 HTT (0.49) HTTTARS1DHFR
SCHEMBL21500731 0.72 HTT (0.68) HTTHTR3AHRH4
SCHEMBL3314521 0.72 NR4A2 (0.53) HTTMAP4K4LMNADHFRHTR3A
SCHEMBL29441517 0.72 HTT (0.68) HTTHTR3AHRH4
SCHEMBL611438 0.72 POLB (0.59) HTTEGFRKDRLMNA
SCHEMBL29642054 0.72 POLB (0.59) HTTEGFRKDRLMNA
SCHEMBL20620603 0.72 ADORA2A (0.37) HTTLMNADHFR
SCHEMBL20620308 0.72 CNR1 (0.34) LMNADHFR
SCHEMBL31693082 0.71 HTT (0.51) HTTEGFRMAP4K4DHFRNQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408092-A1 PEPTIDE AND SMALL MOLECULE AGONISTS OF EPHA AND THEIR USES UNIV CASE WESTERN RESERVE (US) 2024-12-12 US disclosed
US-11944624-B2 Peptide and small molecule agonists of EphA and their uses CASE WESTERN RESERVE UNIVERSITY (US) 2024-04-02 US disclosed
US-20200222405-A1 PEPTIDE AND SMALL MOLECULE AGONISTS OF EPHA AND THEIR USES CASE WESTERN RESERVE UNIVERSITY 2020-07-16 US disclosed
US-20200222405-A1 PEPTIDE AND SMALL MOLECULE AGONISTS OF EPHA AND THEIR USES CASE WESTERN RESERVE UNIVERSITY 2020-07-16 US disclosed
EP-3648766-A1 PEPTIDE AND SMALL MOLECULE AGONISTS OF EPHA AND THEIR USES Case Western Reserve University (US) 2020-05-13 EP disclosed
WO-2019010180-A1 PEPTIDE AND SMALL MOLECULE AGONISTS OF EPHA AND THEIR USES CASE WESTERN RESERVE UNIVERSITY (US) 2019-01-10 WO disclosed
WO-2019010180-A1 PEPTIDE AND SMALL MOLECULE AGONISTS OF EPHA AND THEIR USES CASE WESTERN RESERVE UNIVERSITY (US) 2019-01-10 WO 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
WO-2008021891-A2 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS AUSPEX PHARMACEUTICALS, INC. (US) 2008-02-21 WO 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 (4 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-20200222405-A1 PEPTIDE AND SMALL MOLECULE AGONISTS OF EPHA AND THEIR USES EPHA1, EPHA7, EPHA3 HTT 4807/4885EGFR 26/4885KDR 258/4885
US-11944624-B2 Peptide and small molecule agonists of EphA and their uses EPHA1, EPHA7, EPHA3 HTT 4807/4885EGFR 26/4885KDR 258/4885
US-20090048265-A1 NOVEL ANTITUMOR AGENTS AND METHODS OF THEIR USE ADRB1, ADRA2A, ADRA1A HTT 4801/4885EGFR 2789/4885KDR 381/4885
US-20240408092-A1 PEPTIDE AND SMALL MOLECULE AGONISTS OF EPHA AND THEIR USES EPHA1, EPHA7, EPHA3 HTT 4807/4885EGFR 26/4885KDR 258/4885

“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.