SCHEMBL22988869

SCHEMBL22988869

CC(C)(C)OC(=O)Nc1ccc(C(O)c2c[nH]c3ncccc23)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.40
▸ GRM8 O00222 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ NAMPT P43490 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ MET P08581 2/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK8 P49336 1/20 0.34

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
SCHEMBL22988870 0.88 MAP2K1 (0.41) MAP2K1GRM8GRM4NAMPTMAPK1
SCHEMBL19829825 0.84 BRD4 (0.40) MAPK1BRD4DYRK1AFLT1PRKCQ
SCHEMBL22978447 0.84 GRM8 (0.46) MAP2K1GRM8GRM4BRD4MET
SCHEMBL24594035 0.81 MAP2K1 (0.39) MAP2K1GRM8GRM4BRD4MET
SCHEMBL878759 0.76 MET (0.42) MAP2K1GRM8GRM4BRD4MET
SCHEMBL21872984 0.76 CDC7 (0.41) MAP2K1GRM8GRM4BRD4MET
SCHEMBL28007326 0.75 MAP2K1 (0.47) MAP2K1GRM8GRM4METMTNR1A
SCHEMBL858505 0.74 GRM8 (0.38) MAP2K1GRM8GRM4NAMPTMETAP1
SCHEMBL13138570 0.74 BRAF (0.39) MAP2K1GRM8GRM4NAMPTMETAP1
SCHEMBL31726922 0.74 MAPK1 (0.43) NAMPTMAPK1HDAC1DYRK1AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018233526-A9 CSF1R INHIBITOR, AND MANUFACTURING METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2021-02-18 — — WO disclosed
US-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, INC. 2016-11-24 — — 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 (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-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 JAK2, JAK3, PAK3 MAP2K1 437/4885GRM8 2229/4885GRM4 2066/4885

“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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