SCHEMBL23570137

SCHEMBL23570137

C=N/C=C(F)\C=C(/C)c1nc(NCCc2c[nH]c3cc(F)ccc23)c2ncn(C(C)C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.45
▸ CCNE1 P24864 7/20 0.45
▸ CCNE2 O96020 3/20 0.45
▸ CDK5 Q00535 12/20 0.41
▸ CDK5R1 Q15078 12/20 0.41
▸ CDK9 P50750 6/20 0.41
▸ CCNT1 O60563 5/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ CCNT2 O60583 2/20 0.38
▸ CCNK O75909 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ IP6K1 Q92551 1/20 0.36
▸ CCNB2 O95067 2/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNB3 Q8WWL7 2/20 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
SCHEMBL23569988 0.93 CDK2 (0.45) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL23570179 0.93 CDK2 (0.45) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL22566856 0.87 CDK2 (0.45) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL21754255 0.87 CDK5 (0.40) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL23570213 0.86 CDK2 (0.43) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL23569885 0.86 CDK2 (0.43) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL19278523 0.84 CDK2 (0.48) CDK2CCNE1CCNE2CCNKCDK12
SCHEMBL19278339 0.84 CDK2 (0.48) CDK2CCNE1CCNE2CCNKCDK12
SCHEMBL23570181 0.84 CDK2 (0.43) CDK2CCNE1CCNE2CDK5CDK5R1
SCHEMBL19278526 0.84 CDK2 (0.48) CDK2CCNE1CCNE2CCNKCDK12

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-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2021-06-24 — — 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-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CDK2 3659/4885CCNE1 3047/4885CCNE2 3415/4885

“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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