SCHEMBL29862299

SCHEMBL29862299

CCOc1cccc(-c2c(C(N)=O)cc(-c3ccnc4[nH]ccc34)n2COCC[Si](C)(C)C)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.42
PRKCI P41743 1/20 0.39
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
MAPK14 Q16539 1/20 0.36
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 2/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
CIT O14578 6/20 0.34
NPC1 O15118 1/20 0.34
BRAF P15056 2/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL27282773 1.00 NUDT1 (0.42) NUDT1PRKCIS1PR1S1PR3IKBKB
SCHEMBL27282693 0.93 S1PR1 (0.40) NUDT1PRKCIS1PR1S1PR3MAPK14
SCHEMBL27282749 0.93 NUDT1 (0.42) NUDT1PRKCIIKBKBCHUKMAPK14
SCHEMBL29862387 0.93 S1PR1 (0.40) NUDT1PRKCIS1PR1S1PR3MAPK14
SCHEMBL27282734 0.92 NUDT1 (0.43) NUDT1PRKCIIKBKBCHUKMAPK14
SCHEMBL27282755 0.91 NUDT1 (0.43) NUDT1PRKCIIKBKBCHUKMAPK14
SCHEMBL27282728 0.90 NUDT1 (0.42) NUDT1PRKCIIKBKBCHUKMAPK14
SCHEMBL29862404 0.90 NUDT1 (0.42) NUDT1PRKCIIKBKBCHUKMAPK14
SCHEMBL27282753 0.87 NUDT1 (0.42) NUDT1PRKCIIKBKBCHUKMAPK14
SCHEMBL27282743 0.87 JAK2 (0.40) NUDT1PRKCIIKBKBCHUKMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217969-A1 SUBSTITUTED PYRROLE CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-07-04 US disclosed
EP-4313971-A1 SUBSTITUTED PYRROLE CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2024-02-07 EP disclosed
CN-117157289-A Substituted pyrrolecarboxamides, process for their preparation and their use as kinase inhibitors 内尔维亚诺医疗科学公司 2023-12-01 CN disclosed
WO-2022207404-A1 SUBSTITUTED PYRROLE CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2022-10-06 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 (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-20240217969-A1 SUBSTITUTED PYRROLE CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS CDC7, CDK7, CDK17 NUDT1 2057/4885PRKCI 119/4885S1PR1 2582/4885

“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.