SCHEMBL22551693

SCHEMBL22551693

O=C1NCC2(CCCCC2)n2c1cc1cnc(N[C@H]3CC[C@H](N4CCNCC4)CC3)nc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.61
▸ CDK4 P11802 18/20 0.61
▸ CCND1 P24385 18/20 0.61
▸ CCNE1 P24864 9/20 0.61
▸ CCND3 P30281 5/20 0.61
▸ CDK6 Q00534 5/20 0.61
▸ CCNT1 O60563 3/20 0.59
▸ CDK9 P50750 3/20 0.59
▸ CCNA2 P20248 2/20 0.59
▸ CDK1 P06493 1/20 0.59
▸ CDK7 P50613 1/20 0.59
▸ CDK3 Q00526 1/20 0.59
▸ CDK5R1 Q15078 1/20 0.59

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
SCHEMBL22569947 1.00 CDK2 (0.61) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22570197 0.95 CDK2 (0.67) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22551670 0.95 CDK2 (0.67) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22569948 0.94 CDK2 (0.69) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22551690 0.94 CDK2 (0.69) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22551668 0.93 CDK2 (0.68) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22551658 0.93 CDK2 (0.68) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22551709 0.91 CDK2 (0.64) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22570138 0.91 CDK2 (0.70) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22570278 0.91 CDK2 (0.70) CDK2CDK4CCND1CCNE1CCND3

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-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2020-10-22 — — US disclosed
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2020-10-22 — — 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-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION MKI67, CCNC, CCNI CDK2 17/4885CDK4 4/4885CCND1 23/4885

“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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