SCHEMBL31668030

SCHEMBL31668030

Cc1ccc(C(CNc2cc(C(C)C)nc3ccnn23)N2CCOCC2)o1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 20/20 0.47
CDK9 P50750 20/20 0.47
CDK4 P11802 6/20 0.44
CCND1 P24385 6/20 0.44
CDK7 P50613 3/20 0.44
CCNH P51946 3/20 0.44
CDK2 P24941 4/20 0.42
CCNA1 P78396 4/20 0.42
CDK1 P06493 3/20 0.42
CCNA2 P20248 3/20 0.42
CCNE1 P24864 3/20 0.42
CDK3 Q00526 3/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42

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
SCHEMBL31668065 0.86 PRKAB2 (0.45) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL31668070 0.84 CCNT1 (0.49) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL31668093 0.83 CCNT1 (0.47) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL31668019 0.76 ALDH1A1 (0.53)
SCHEMBL31667963 0.73 ALDH1A1 (0.34)
SCHEMBL2033397 0.71 KCNN3 (0.52) CCNT1CDK9
SCHEMBL21946513 0.67 CCNT1 (0.65) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL31668121 0.67 ALDH1A1 (0.49)
SCHEMBL18269476 0.65 KDM4E (0.61)
SCHEMBL21877682 0.64 CCNT1 (0.82) CCNT1CDK9CDK4CCND1CDK7

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-20250243208-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION 2025-07-31 US claimed
US-20250243208-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION 2025-07-31 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-20250243208-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 CCNT1 3974/4885CDK9 1629/4885CDK4 2190/4885

“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.