SCHEMBL30804792

SCHEMBL30804792

CS(=O)(=O)N1CCC(Nc2ncc3cc(C(F)F)cc(N4CC5(C4)CN(C4CC4)C5)c3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.51
CDK2 P24941 20/20 0.51
CCND1 P24385 16/20 0.51
CDK6 Q00534 16/20 0.51
CCNT1 O60563 4/20 0.48
CDK4 P11802 4/20 0.48
CDK9 P50750 4/20 0.48
CCNE2 O96020 2/20 0.46
CCND3 P30281 2/20 0.46
RB1 P06400 1/20 0.46
CDK1 P06493 1/20 0.46
CCNA2 P20248 1/20 0.46

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
SCHEMBL27174705 1.00 CCNE1 (0.51) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27061902 0.84 CCNE1 (0.45) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27065676 0.83 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30804789 0.83 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27174694 0.81 FLT3 (0.42) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30804811 0.81 FLT3 (0.42) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30761930 0.81 CCNE1 (0.53) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27075422 0.81 CCNE1 (0.53) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL27065482 0.81 CCNE1 (0.44) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL30726226 0.79 CCNE1 (0.55) CCNE1CDK2CCND1CDK6CCNT1

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-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. 2024-03-21 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-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE CCNI, CDK3, CDK1 CCNE1 53/4885CDK2 5/4885CCND1 91/4885

“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.