SCHEMBL13391908

SCHEMBL13391908

Cc1cn2cc(N)cnc2n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 2/20 0.30
APP P05067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NOS1 P29475 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CA P42336 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
Hydrochloric Acid SCHEMBL31600802 0.98 GRM5 (0.33) GRM5ADORA3ADORA2AALDH1A1HPGD
SCHEMBL12066721 0.79 PIK3CA (0.33) GRM5ALDH1A1HPGDHSD17B10RAB9A
SCHEMBL12443626 0.76 GRM5 (0.39) GRM5
SCHEMBL12443266 0.76 GRM5 (0.33) GRM5RAB9AAPPKDM4EMAPT
SCHEMBL2965488 0.76 KDM4E (0.50) GRM5ALDH1A1HPGDHSD17B10RAB9A
SCHEMBL437172 0.76 APP (0.50) GRM5ADORA2AALDH1A1HPGDHSD17B10
SCHEMBL23571441 0.73 GRM5 (0.40) GRM5
SCHEMBL19736813 0.73 NPC1 (0.34) GRM5ALDH1A1HPGDRAB9AKDM4E
SCHEMBL19678266 0.73
SCHEMBL21689086 0.72 KDM4E (0.30) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed
US-20250122192-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. 2025-04-17 US disclosed
EP-4441042-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME Rgenta Therapeutics, Inc. (US) 2024-10-09 EP disclosed
CN-118748995-A 5-Pyrimidine carboxamide derivatives and methods of use thereof 亚根达医疗公司 2024-10-08 CN disclosed
WO-2023102231-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 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 (1 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-20250122192-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RTCB, NSUN2, PRPF19 GRM5 851/4885ADORA3 220/4885ADORA2A 96/4885

“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.