SCHEMBL5026007

SCHEMBL5026007

Cc1nc(N)sc1CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
HRH2 P25021 9/20 0.53
HRH4 Q9H3N8 3/20 0.53
HRH1 P35367 2/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NOS1 P29475 1/20 0.43
MAPT P10636 1/20 0.43
GABRA5 P31644 1/20 0.42
GABRB2 P47870 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
Bromide SCHEMBL11363387 0.98 CYP1A2 (0.53) CYP1A2HRH2HRH4HRH1ALDH1A1
SCHEMBL4636871 0.85 HRH2 (0.53) CYP1A2HRH2HRH4HRH1ALDH1A1
SCHEMBL999649 0.81 HRH2 (0.59) CYP1A2HRH2HRH4HRH1ALDH1A1
Bicarbonate SCHEMBL27848196 0.81 HRH2 (0.53) CYP1A2HRH2HRH4HRH1ALDH1A1
SCHEMBL1540434 0.80 HTT (0.51) CYP1A2HRH2HRH4HRH1ALDH1A1
SCHEMBL873381 0.80 PTGDR2 (0.53) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL11157086 0.79 SMN1; SMN2 (0.53) CYP1A2HRH2HRH4HRH1ALDH1A1
SCHEMBL15740329 0.78 CYP1A2 (0.56) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL27734024 0.78 CYP1A2 (0.51) CYP1A2HRH2HRH4HRH1ALDH1A1
SCHEMBL27719752 0.78 CYP1A2 (0.51) CYP1A2HRH2HRH4HRH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 US disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 WO disclosed
US-4363909-A ANTIVIRAL AGENTS RHONE POULENC INDUSTRIES (FR) 1982-12-14 US disclosed
US-4254260-A 3-Substituted-7-substituted alkanamido-3-cephem-4-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-03-03 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-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC CYP1A2 2362/4885HRH2 1151/4885HRH4 700/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB CYP1A2 1768/4885HRH2 1128/4885HRH4 694/4885

“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.