SCHEMBL105611

SCHEMBL105611

CCCc1ccnc(N)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.70
NOS3 P29474 5/20 0.70
NOS1 P29475 4/20 0.70
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52
GABRG3 Q99928 2/20 0.52
GABRQ Q9UN88 2/20 0.52
KDM4E B2RXH2 2/20 0.48

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 SCHEMBL14630870 0.98 NOS2 (0.68) NOS2NOS3NOS1GABRPGABRD
SCHEMBL6938337 0.88 NOS2 (0.66) NOS2NOS3NOS1GABRPGABRD
SCHEMBL729575 0.86 NOS3 (0.63) NOS2NOS3NOS1GABRPGABRD
SCHEMBL27678823 0.85 NOS3 (0.61) NOS2NOS3NOS1GABRPGABRD
SCHEMBL5744814 0.85 NOS3 (0.61) NOS2NOS3NOS1GABRPGABRD
SCHEMBL3443609 0.85 NOS3 (0.61) NOS2NOS3NOS1GABRPGABRD
SCHEMBL5746040 0.85 NOS3 (0.61) NOS2NOS3NOS1GABRPGABRD
SCHEMBL5749578 0.85 NOS3 (0.61) NOS2NOS3NOS1GABRPGABRD
SCHEMBL19309208 0.85 NOS3 (0.61) NOS2NOS3NOS1GABRPGABRD
SCHEMBL8527159 0.85 NOS3 (0.61) NOS2NOS3NOS1GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55072166-A None JP disclosed
US-20260001885-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME (NL) 2026-01-01 US disclosed
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME (NL) 2023-10-19 US disclosed
EP-4249076-A2 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR Merck Sharp & Dohme B.V. (NL) 2023-09-27 EP disclosed
WO-2023137182-A1 METHODS OF TREATING MYELOPROLIFERATIVE DISORDERS BASED ON BTK OCCUPANCY & RESYNTHESIS RATE TELIOS PHARMA INC. (US) 2023-07-20 WO disclosed
WO-2023100501-A1 ADHESIVE FOR SKIN AFFIXATION AND ADHESIVE TAPE FOR SKIN AFFIXATION 東洋インキSCホールディングス株式会社 2023-06-08 WO disclosed
EP-3495368-B1 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR MERCK SHARP & DOHME (NL) 2023-05-31 EP disclosed
WO-2022266285-A1 TREATMENT OF SYMPTOMS ASSOCIATED WITH MYELOPROLIFERATIVE NEOPLASMS TELIOS PHARMA INC. (US) 2022-12-22 WO disclosed
CN-107531683-B USP7 inhibitor compounds and methods of use 豪夫迈·罗氏有限公司 2022-05-13 CN disclosed
EP-3271333-B1 USP7 INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2022-01-12 EP disclosed
EP-0065817-B1 PROCESS FOR PRODUCING CARBOXYLIC ACIDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-07-24 EP disclosed
EP-0035860-B1 PROCESS FOR PRODUCING ETHYLIDENE DIACETATE AND/OR ACETALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-03-14 EP disclosed
EP-0048174-B1 PROCESS FOR PRODUCING VINYL ACETATE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-02-22 EP disclosed
EP-0065817-A1 Process for producing carboxylic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-12-01 EP disclosed
EP-0055622-A1 Process for producing acetic anhydride MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-07-07 EP disclosed
EP-0048174-A1 Process for producing vinyl acetate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-03-24 EP disclosed
EP-0035860-A2 Process for producing ethylidene diacetate and/or acetaldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1981-09-16 EP disclosed
JP-S5572166-A PREPARATION OF 2,5-DIAMINO-4-PROPYLPYRIDINE KOEI CHEM CO LTD 1980-05-30 JP disclosed
US-4115397-A 1,3,5,7-TETRA(2-PYRIDYLIMINO)-BENZODIPYRROLES FORD MOTOR COMPANY (US) 1978-09-19 US disclosed
US-3965100-A 2,3-Dihydrocyclopenta[d]pyrido[1,2-a]pyrimidin-10(1H)-one and its derivatives E. R. SQUIBB & SONS, INC. (US) 1976-06-22 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 (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-20260001885-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, ABL1, FLT3 NOS2 1824/4885NOS3 2190/4885NOS1 2141/4885
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 NOS2 2722/4885NOS3 2614/4885NOS1 2822/4885

“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.