SCHEMBL21753629

SCHEMBL21753629

Cc1cc(ONC(=O)C(C)C)n(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.51
NTRK1 P04629 4/20 0.50
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
MAPT P10636 3/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.44
MDM2 Q00987 1/20 0.44
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL21753653 0.89 P2RY1 (0.48) P2RY1NTRK1GAACYP1A2MAPK1
SCHEMBL28883958 0.86 P2RY1 (0.46) P2RY1NTRK1GAACYP1A2MAPK1
SCHEMBL28884498 0.84 P2RY1 (0.45) P2RY1NTRK1GAAALDH1A1TSHR
SCHEMBL28361111 0.83 P2RY1 (0.44) P2RY1NTRK1GAAALDH1A1TSHR
SCHEMBL21753644 0.82 P2RY1 (0.43) P2RY1NTRK1GAAALDH1A1TSHR
SCHEMBL21753623 0.82 P2RY1 (0.43) P2RY1NTRK1GAAALDH1A1TSHR
SCHEMBL21753616 0.82 ALDH1A1 (0.50) P2RY1NTRK1GAACYP1A2MAPK1
SCHEMBL21753619 0.82 NTRK1 (0.50) P2RY1NTRK1GAACYP1A2MAPK1
SCHEMBL21774366 0.81 ALDH1A1 (0.49) P2RY1NTRK1GAACYP1A2CYP2C19
SCHEMBL25285703 0.81 P2RY1 (0.44) P2RY1NTRK1GAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD. (CN) 2023-07-04 US disclosed
CN-110857285-B Substituted pyrazole compound, preparation method, pharmaceutical composition and application thereof 江苏万高药业股份有限公司 2022-12-20 CN disclosed
US-20220372058-A1 Substituted Pyrazole Compound, Preparation Method Therefor, Pharmaceutical Composition and Medical Use Thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD (CN) 2022-11-24 US disclosed
CN-110857285-A Substituted pyrazole compound, preparation method, pharmaceutical composition and application thereof 天津谷堆生物医药科技有限公司 2020-03-03 CN disclosed
WO-2020038279-A1 SUBSTITUTED PYRAZOLE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 天津谷堆生物医药科技有限公司 2020-02-27 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 (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-20220372058-A1 Substituted Pyrazole Compound, Preparation Method Therefor, Pharmaceutical Composition and Medical Use Thereof FARS2, GOT2, HADHB P2RY1 1957/4885NTRK1 2744/4885GAA 3422/4885
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof FARS2, GOT2, HADHB P2RY1 1957/4885NTRK1 2744/4885GAA 3422/4885

“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.