SCHEMBL454022

SCHEMBL454022

Nc1[nH]nnc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CLK4 Q9HAZ1 2/20 0.46
▸ GSK3A P49840 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ RPS6KA5 O75582 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ CDK5 Q00535 1/20 0.46

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
SCHEMBL28814497 0.79 MAPK14 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ACLK4
SCHEMBL2918159 0.79 SMN1; SMN2 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL453506 0.76 KDM4E (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL22353121 0.75 RAB9A (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL15348468 0.74 HPGD (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL20605668 0.74 ALOX15 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL170101 0.74 ALOX15 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL2387037 0.74 AKT2 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL2048675 0.74 ALOX15 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL8776626 0.74 ALOX15 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137483-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2025-06-26 — — WO disclosed
US-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof ADURO BIOTECH INC. (US) 2020-08-11 — — US disclosed
EP-3681888-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF Aduro Biotech, Inc. (US) 2020-07-22 — — EP disclosed
CN-111212839-A Pyrazolopyrimidinone compounds and uses thereof 艾杜罗生物科技公司 2020-05-29 — — CN disclosed
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF CHINOOK THERAPEUTICS, INC. 2019-04-25 — — US disclosed
WO-2019055750-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF Aduro Biotech, Inc. (US) 2019-03-21 — — WO disclosed
US-20180369262-A1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES TETARD, INC. 2018-12-27 — — US disclosed
CN-108026063-A Pleocidin derivative as insecticide 阿格里麦蒂斯有限责任公司 2018-05-11 — — CN disclosed
EP-2365747-B1 METHODS FOR TREATING GASTROINTESTINAL DISEASES CEMPRA PHARMACEUTICALS INC (US) 2018-04-11 — — EP disclosed
EP-2362727-B1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES CEMPRA PHARMACEUTICALS INC (US) 2018-04-11 — — EP disclosed
WO-2010048601-A1 BIODEFENSES USING TRIAZOLE-CONTAINING MACROLIDES CEMPRA PHARMACEUTICALS, INC. (US) 2010-04-29 — — WO disclosed
WO-2010048599-A1 METHODS FOR TREATING GASTROINTESTINAL DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2010-04-29 — — WO disclosed
WO-2010048600-A1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES CEMPRA PHARMACEUTICALS, INC. (US) 2010-04-29 — — WO disclosed
US-6451820-B1 Substituted 1-(4-aminophenly)triazoles and their use as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-17 — — US disclosed
WO-2001072740-A1 SUBSTITUTED 1-(4-AMINOPHENYL) TRIAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-10-04 — — WO disclosed
US-4282008-A METHANOL AND/OR ETHANOL; REACTION PRODUCT OF ISATOIC ANHYDRIDE, AMINOTRIAZOLE, POLY-PRIMARY AMINE; CORROSION RESISTANCE TEXACO INC. (US) 1981-08-04 — — US disclosed
EP-0001774-A1 Derivatives of BPTI (basic pancreatic trypsin-inhibitor), process for their preparation and their use as medicines BAYER AG (DE) 1979-05-16 — — EP disclosed
EP-0001773-A1 Derivatives of BPTI (basic pancreatic trypsin-inhibitor), process for their preparation and their use as medicines BAYER AG (DE) 1979-05-16 — — EP disclosed
US-4153687-A Derivatives, having an inhibitory action against protease and an antiphlogistic action, of the trypsin-kallikrein inhibitor obtained from cattle organs (BPTI), their preparation and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-05-08 — — US disclosed
US-4060531-A OPTICAL BRIGTENERS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-11-29 — — 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-20180369262-A1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES LIPA, PNLIP, LIPC ALDH1A1 3064/4885KDM4E 4245/4885HPGD 808/4885
US-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof NLRP3, NLRP1, P2RX7 ALDH1A1 1246/4885KDM4E 1922/4885HPGD 280/4885
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF NLRP3, NLRP1, P2RX7 ALDH1A1 1246/4885KDM4E 1922/4885HPGD 280/4885

“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.

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