SCHEMBL22413899

SCHEMBL22413899

CC(=O)N1CCN(c2ccc(Nc3ncccn3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 7/20 0.57
▸ CDK2 P24941 7/20 0.57
▸ CCND1 P24385 6/20 0.57
▸ CCND3 P30281 6/20 0.57
▸ CDK6 Q00534 6/20 0.57
▸ CCNA2 P20248 5/20 0.57
▸ CDK1 P06493 5/20 0.57
▸ CCNB1 P14635 5/20 0.57
▸ CDK7 P50613 4/20 0.57
▸ CCNH P51946 4/20 0.57
▸ CCNT1 O60563 4/20 0.57
▸ CDK9 P50750 4/20 0.57
▸ CTSC P53634 1/20 0.55
▸ WNT3A P56704 8/20 0.51
▸ ALK Q9UM73 2/20 0.49
▸ IGF1R P08069 1/20 0.49
▸ CCNE1 P24864 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ MNAT1 P51948 1/20 0.47
▸ CDK5 Q00535 1/20 0.47

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
SCHEMBL27315749 0.83 WNT3A (0.55) CDK2CCND3CDK6CCNA2CDK9
SCHEMBL20744489 0.82 CCND3 (0.61) CDK4CDK2CCND1CCND3CDK6
SCHEMBL30012234 0.79 CDK2 (0.54) CDK4CDK2CCND1CCND3CDK6
SCHEMBL29544087 0.79 CDK2 (0.82) CDK4CDK2CCND1CCND3CDK6
SCHEMBL21152705 0.79 WNT3A (0.50) CDK4WNT3A
SCHEMBL30777173 0.78 CDK4 (0.78) CDK4CDK2CCND1CCND3CDK6
SCHEMBL20452169 0.78 CDK4 (0.78) CDK4CDK2CCND1CCND3CDK6
SCHEMBL18453164 0.78 WNT3A (0.53) WNT3A
SCHEMBL23296202 0.77 CDK4 (0.64) CDK4CDK2CCND1CCND3CDK6
SCHEMBL24483253 0.77 CDK6 (0.63) CDK4CDK2CCND1CCND3CDK6

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-20200283431-A1 N-(PYRIDIN-2-YL)-4-(THIAZOL-5-YL)PYRIMIDIN-2-AMINE DERIVATIVES AS THERAPEUTIC COMPOUNDS AUCENTRA THERAPEUTICS PTY LTD (AU) 2020-09-10 — — 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-20200283431-A1 N-(PYRIDIN-2-YL)-4-(THIAZOL-5-YL)PYRIMIDIN-2-AMINE DERIVATIVES AS THERAPEUTIC COMPOUNDS CDK4, CDK6, CDKL2 CDK4 1/4885CDK2 4/4885CCND1 17/4885

“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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