SCHEMBL9024901

SCHEMBL9024901

Cc1cnn(-c2ccncc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.46
MELK Q14680 3/20 0.45
FLT3 P36888 1/20 0.42
TDO2 P48775 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP46A1 Q9Y6A2 2/20 0.39
GAA P10253 1/20 0.38
NOS1 P29475 1/20 0.38
MAOA P21397 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7028384 0.83 MAPT (0.47) GRM4FLT3TDO2KDM4EMAPT
SCHEMBL255496 0.81 GAA (0.59) GRM4TDO2KDM4EMAPTMAPK1
SCHEMBL3156531 0.79 CYP2A6 (0.53) GRM4TDO2KDM4EMAPTMAPK1
SCHEMBL11962623 0.78 TDO2 (0.49) GRM4TDO2KDM4EMAPTMAPK1
SCHEMBL12349894 0.78 GRM4 (0.43) GRM4TDO2KDM4EMAPTMAPK1
SCHEMBL7028379 0.78 TDO2 (0.41) GRM4MELKTDO2KDM4EMAPT
SCHEMBL9134518 0.78 ALDH1A1 (0.49) TDO2KDM4EMAPTMAPK1NPSR1
SCHEMBL5658498 0.78 TDO2 (0.41) GRM4TDO2KDM4EMAPTMAPK1
SCHEMBL3095150 0.78 TDO2 (0.41) GRM4MELKTDO2KDM4EMAPT
SCHEMBL12988820 0.78 MELK (0.50) MELKTDO2KDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530178-B Method for preparing 4-methylpyrazole 山东仁一生物科技有限责任公司 2024-09-24 CN disclosed
CN-118530178-A Method for preparing 4-methylpyrazole 山东仁一生物科技有限责任公司 2024-08-23 CN disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
EP-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 EP disclosed
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
EP-3689871-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2020-08-05 EP disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089360-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
EP-0366329-B1 Halogeno-4-methylpyrazoles and process for preparing the same NISSAN CHEMICAL IND LTD (JP) 1996-03-20 EP disclosed
US-5220028-A Halogeno-4-methylpyrazoles NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-15 US disclosed
EP-0366328-B1 PROCESS FOR PREPARING 4-METHYLPYRAZOLES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1993-05-19 EP disclosed
EP-0366329-A1 Halogeno-4-methylpyrazoles and process for preparing the same NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1990-05-02 EP disclosed
EP-0366328-A1 Process for preparing 4-methylpyrazoles NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1990-05-02 EP 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 GRM4 3751/4885MELK 219/4885FLT3 1430/4885

“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.