SCHEMBL4646183

SCHEMBL4646183

Cc1cc(N)nc(N)c1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.43
NOS3 P29474 10/20 0.43
NOS1 P29475 8/20 0.43
BACE1 P56817 1/20 0.43
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRMT5 O14744 1/20 0.39
TERT O14746 1/20 0.34

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 SCHEMBL4437267 0.97 NOS2 (0.42) NOS2NOS3NOS1BACE1MAPT
SCHEMBL8344113 0.79 KDM4E (0.54) NOS2NOS3NOS1MAPTTDP1
SCHEMBL3673476 0.79 NOS2 (0.48) NOS2NOS3NOS1BACE1PRMT5
SCHEMBL2955353 0.79 TDP1 (0.43) NOS2NOS3NOS1BACE1MAPT
SCHEMBL23860779 0.75 NOS3 (0.38) NOS2NOS3NOS1MAPTTERT
SCHEMBL3637109 0.75 NOS3 (0.41) NOS2NOS3NOS1BACE1MAPT
SCHEMBL30689574 0.75 NOS3 (0.38) NOS2NOS3NOS1MAPTTERT
SCHEMBL14385061 0.72 NOS3 (0.39) NOS2NOS3NOS1BACE1MAPT
SCHEMBL24227068 0.72 NOS2 (0.45) NOS2NOS3NOS1BACE1PRMT5
SCHEMBL22063592 0.72 REN (0.47) NOS2NOS3NOS1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1598048-B1 Composition for coloring of keratin fibres KPSS KAO GMBH (DE) 2008-08-13 EP claimed
CN-1518543-A Pyrazole derivatives and their use as protein kinase inhibitors �Ʒ� 2004-08-04 CN claimed
JP-2019576-A None JP disclosed
CN-110325530-B GLP-1 receptor agonists and uses thereof 辉瑞大药厂 2022-01-11 CN disclosed
CN-113874019-A Combinations comprising benzodioxoles as GLP-1R agonists for the treatment of NASH/NAFLD and related diseases 辉瑞大药厂 2021-12-31 CN disclosed
EP-3806955-A1 GLP-1 RECEPTOR AGONISTS AND USES THEREOF Pfizer Inc. (US) 2021-04-21 EP disclosed
CN-112566637-A GLP-1 receptor agonists and uses thereof 辉瑞公司 2021-03-26 CN disclosed
US-10934279-B2 GLP-1 receptor agonists and uses thereof PFIZER INC. (US) 2021-03-02 US disclosed
CN-108066340-B Pharmaceutical composition 中国科学院化学研究所 2020-10-27 CN disclosed
CN-108069964-B Macrocyclic compounds and pharmaceutical compositions 北京师范大学 2020-07-07 CN disclosed
CN-109867707-A The method of atriphos is extracted from the solution containing atriphos 中国科学院化学研究所 2019-06-11 CN disclosed
CN-108069964-A Macrocyclic compound and pharmaceutical composition 北京师范大学 2018-05-25 CN disclosed
CN-108066340-A Pharmaceutical composition 中国科学院化学研究所 2018-05-25 CN disclosed
CN-108066341-A Purposes of the compound in anticancer drug is prepared 中国科学院化学研究所 2018-05-25 CN disclosed
CN-1518543-A Pyrazole derivatives and their use as protein kinase inhibitors �Ʒ� 2004-08-04 CN disclosed
US-4931487-A Chain extenders for polyurethanes DOW CHEMICAL COMPANY 1990-06-05 US disclosed
JP-H0219576-A DYEING COMPOSITION FOR KERATINOUS FIBER KAO CORP 1990-01-23 JP 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-10934279-B2 GLP-1 receptor agonists and uses thereof GLP1R, GIPR, GCGR NOS2 3753/4885NOS3 3211/4885NOS1 3224/4885

“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.