SCHEMBL31711030

SCHEMBL31711030

COc1ccc(F)cc1-c1c(-c2cc(C)ccc2F)c2cccnc2n1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.41
▸ CDK9 P50750 7/20 0.41
▸ MAPT P10636 3/20 0.37
▸ THRB P10828 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ TGFBR1 P36897 2/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL31710901 0.83 CCNT1 (0.40) CCNT1CDK9MAPTTHRBTGFBR1
SCHEMBL31710760 0.72 CCNT1 (0.40) CCNT1CDK9MAPTTHRB
SCHEMBL31710729 0.72 CCNT1 (0.43) CCNT1CDK9
SCHEMBL31710600 0.71 MAPT (0.35) MAPTTHRBTP53TGFBR1KDM4E
SCHEMBL31710782 0.68 CCNT1 (0.39) CCNT1CDK9MAPT
SCHEMBL31711076 0.68 CDK9 (0.42) CCNT1CDK9NR3C1PGR
SCHEMBL31710422 0.67 MAPT (0.36) MAPTTHRBTP53TGFBR1MEN1
SCHEMBL31711016 0.65 SYK (0.36) CCNT1CDK9MAPTTHRBNR3C1
SCHEMBL15674227 0.63 SYK (0.44) CCNT1CDK9TGFBR1SYKJAK2
SCHEMBL31710393 0.62 CCNT1 (0.46) CCNT1CDK9

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
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
US-20250326772-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 (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-20250326772-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 CCNT1 4846/4885CDK9 3907/4885MAPT 2500/4885
US-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 CCNT1 4846/4885CDK9 3907/4885MAPT 2500/4885

“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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