SCHEMBL3673476

SCHEMBL3673476

Cc1cc(N)nc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.48
NOS3 P29474 8/20 0.48
NOS1 P29475 7/20 0.48
BACE1 P56817 1/20 0.43
REN P00797 1/20 0.41
PRMT5 O14744 1/20 0.39
TERT O14746 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 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
SCHEMBL4646183 0.79 NOS2 (0.43) NOS2NOS3NOS1BACE1PRMT5
SCHEMBL5758060 0.79 NOS2 (0.48) NOS2NOS3NOS1BACE1REN
Hydrochloric Acid SCHEMBL4437267 0.77 NOS2 (0.42) NOS2NOS3NOS1BACE1PRMT5
SCHEMBL1143077 0.75 NOS2 (0.44) NOS2NOS3NOS1BACE1REN
SCHEMBL21287461 0.75 NOS2 (0.44) NOS2NOS3NOS1BACE1REN
SCHEMBL16093699 0.75 NOS2 (0.44) NOS2NOS3NOS1BACE1REN
SCHEMBL3637109 0.75 NOS3 (0.41) NOS2NOS3NOS1BACE1PRMT5
SCHEMBL21632441 0.75 NOS2 (0.44) NOS2NOS3NOS1BACE1REN
SCHEMBL14206940 0.75 NOS2 (0.44) NOS2NOS3NOS1BACE1REN
SCHEMBL3615606 0.75 KDM4E (0.48) NOS2NOS3NOS1BACE1REN

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110809577-A Modulators of adenosine A2A receptor 雷沃医疗有限公司 2020-02-18 CN claimed
CN-107082759-A A kind of synthetic method of the bromopyridine of 2,3,4 trimethyl 6 刘瑞海 2017-08-22 CN claimed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP claimed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO claimed
WO-2024166131-A1 HETEROARYL COMPOUNDS AS PKMYT1 INHIBITORS SATYARX PHARMA INNOVATIONS PRIVATE LIMITED (IN) 2024-08-15 WO disclosed
EP-3692023-B1 BENZOTHIAZOL COMPOUNDS AND METHODS USING THE SAME FOR TREATING NEURODEGENERATIVE DISORDERS 1ST BIOTHERAPEUTICS INC (KR) 2023-05-17 EP disclosed
WO-2021121396-A1 TRICYCLIC COMPOUND THAT ACTS AS PLASMA KALLIKREIN INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2021-06-24 WO disclosed
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP disclosed
CN-110809577-A Modulators of adenosine A2A receptor 雷沃医疗有限公司 2020-02-18 CN disclosed
CN-107072985-B Therapeutic inhibiting compounds 莱福斯希医药公司 2020-02-07 CN disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2016-12-15 US disclosed
CN-101981031-A Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL 2011-02-23 CN disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
WO-1992007468-A1 HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-14 WO disclosed
WO-1991017979-A1 PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES DSM N.V. (NL) 1991-11-28 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 (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-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 NOS2 3653/4885NOS3 2799/4885NOS1 3596/4885
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 NOS2 453/4885NOS3 372/4885NOS1 443/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 NOS2 453/4885NOS3 372/4885NOS1 443/4885

“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.