SCHEMBL15980358

SCHEMBL15980358

Cc1cnc2nn(C)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 4/20 0.38
PSMD14 O00487 1/20 0.38
COPS5 Q92905 1/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
NSD2 O96028 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PARP1 P09874 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PAK4 O96013 1/20 0.32
AURKA O14965 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
SCHEMBL25252261 0.78 KDM4E (0.46) KDM4EALDH1A1MAPTNSD2ADORA2A
SCHEMBL22001420 0.78 PAK4 (0.46) CYP1A2KDM4EALDH1A1MAPTNSD2
Hydrochloric Acid SCHEMBL31600002 0.77 KDM4E (0.44) KDM4EALDH1A1MAPTNSD2ADORA2A
SCHEMBL27004776 0.76 CCR1 (0.38) CCR1CCR5CCR8CYP1A2KDM4E
SCHEMBL24054705 0.76 PARP1 (0.38) CYP1A2KDM4EALDH1A1MAPTNSD2
SCHEMBL17694880 0.76 PAK4 (0.38) KDM4EALDH1A1MAPTNSD2ADORA2A
SCHEMBL29268083 0.74 CYP2A6 (0.38) KDM4EALDH1A1MAPTNSD2ADORA2A
SCHEMBL24054754 0.74 ADORA2A (0.33) KDM4EALDH1A1MAPTNSD2ADORA2A
SCHEMBL20763869 0.73 CYP11B2 (0.35) KDM4EALDH1A1MAPTNSD2ADORA2A
SCHEMBL29092032 0.73 ADORA2A (0.33) KDM4EALDH1A1MAPTNSD2ADORA2A

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
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 WO disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
EP-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed
EP-3669872-A1 COMPOUND HAVING PD-L1 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2020-06-24 EP disclosed
US-9822119-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-21 US disclosed
US-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 US disclosed
WO-2016037005-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. (US) 2016-03-10 WO disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 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 (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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 CCR1 1761/4885CCR5 1077/4885CCR8 3709/4885
US-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 CCR1 708/4885CCR5 263/4885CCR8 434/4885
US-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A CCR1 3936/4885CCR5 4630/4885CCR8 4615/4885

“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.