SCHEMBL31711076

SCHEMBL31711076

COc1ccc(F)cc1-c1c(-c2cc(C)ccn2)c2cccnc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 19/20 0.42
▸ CCNT1 O60563 17/20 0.42
▸ NR3C1 P04150 1/20 0.37
▸ PGR P06401 1/20 0.37

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
SCHEMBL31710555 0.82 CCNT1 (0.40) CDK9CCNT1
SCHEMBL31710489 0.78 ELANE (0.41) —
SCHEMBL31710901 0.76 CCNT1 (0.40) CDK9CCNT1NR3C1PGR
SCHEMBL31710393 0.71 CCNT1 (0.46) CDK9CCNT1
SCHEMBL31710700 0.71 ELANE (0.51) —
SCHEMBL16040762 0.68 CCNT1 (0.62) CDK9CCNT1
SCHEMBL31711030 0.68 CCNT1 (0.41) CDK9CCNT1NR3C1PGR
SCHEMBL4726522 0.66 GBA1 (0.44) —
SCHEMBL18475170 0.66 NR1H2 (0.40) —
SCHEMBL18991307 0.65 POLB (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER KYORIN SEIYAKU KK (JP) 2025-10-23 — — 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-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 CDK9 3907/4885CCNT1 4846/4885NR3C1 592/4885

“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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