SCHEMBL2865249

SCHEMBL2865249

CCCCCc1cc(N)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.56
HCAR3 P49019 3/20 0.56
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
GPR84 Q9NQS5 5/20 0.45
PARP1 P09874 1/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL8512535 0.98 HCAR2 (0.57) HCAR2HCAR3NPC1RAB9AMAPT
SCHEMBL9140451 0.94 HCAR2 (0.54) HCAR2HCAR3NPC1RAB9AMAPT
SCHEMBL1706467 0.86
Hydrochloric Acid SCHEMBL1707357 0.84 NPC1 (0.54) HCAR2HCAR3NPC1RAB9AMAPT
SCHEMBL27396391 0.81 DAO (0.41) HCAR2HCAR3NPC1RAB9AMAPT
SCHEMBL4011081 0.80 GAA (0.42) HCAR2HCAR3NPC1RAB9AMAPT
SCHEMBL18010760 0.78 HCAR2 (0.60) HCAR2HCAR3GPR84
SCHEMBL5960663 0.78 HCAR2 (0.57) HCAR2HCAR3GPR84KMT2A
SCHEMBL4161900 0.78 HCAR2 (0.45) HCAR2HCAR3NPC1RAB9AMAPT
SCHEMBL174227 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248315-A2 5-Acylamino pyrazole derivatives BAYER AG (DE) 1987-12-09 EP claimed
WO-2024148091-A1 CDK2 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2024-07-11 WO disclosed
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
EP-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 WO disclosed
US-4799951-A 5-acylamino-pyrazole derivatives, composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1989-01-24 US disclosed
EP-0224019-A2 1-Aryl-4-nitropyrazole BAYER AG (DE) 1987-06-03 EP 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 HCAR2 65/4885HCAR3 104/4885NPC1 1459/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 HCAR2 58/4885HCAR3 71/4885NPC1 983/4885

“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.