Sugi Predict

Sugi Predict / Compounds / SCHEMBL21753652

SCHEMBL21753652

SCHEMBL21753652

Cc1cc(ONC(=O)c2ccccc2C)n(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.51
▸ MAPT P10636 2/20 0.51
▸ GAA P10253 1/20 0.48
▸ NTRK1 P04629 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ P2RY1 P47900 1/20 0.44
▸ KCNJ6 P48051 1/20 0.44
▸ KCNJ5 P48544 1/20 0.44
▸ KCNJ3 P48549 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ STAT1 P42224 1/20 0.44

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
SCHEMBL21753656 0.80 ALDH1A1 (0.46) KMT2AMAPTGAANTRK1ALDH1A1
SCHEMBL21753619 0.80 NTRK1 (0.50) KMT2AGAANTRK1ALDH1A1MDM2
SCHEMBL21753616 0.80 ALDH1A1 (0.50) KMT2AMAPTGAANTRK1ALDH1A1
SCHEMBL21753629 0.80 P2RY1 (0.51) KMT2AMAPTGAANTRK1ALDH1A1
SCHEMBL21753642 0.79 NTRK1 (0.47) KMT2AMAPTGAANTRK1ALDH1A1
SCHEMBL21753627 0.78 ALDH1A1 (0.48) KMT2AMAPTGAANTRK1TP53
SCHEMBL21753653 0.77 P2RY1 (0.48) KMT2AMAPTGAANTRK1ALDH1A1
SCHEMBL25285703 0.76 P2RY1 (0.44) KMT2AMAPTGAANTRK1ALDH1A1
SCHEMBL28594274 0.75 NTRK1 (0.56) KMT2AMAPTGAANTRK1ALDH1A1
SCHEMBL28594276 0.75 NTRK1 (0.56) KMT2AMAPTGAANTRK1POLB

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 KMT2A 4665/4885MAPT 856/4885GAA 3422/4885
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof FARS2, GOT2, HADHB KMT2A 4665/4885MAPT 856/4885GAA 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.