SCHEMBL19278523

SCHEMBL19278523

C=N/C=C(F)\C=C(/C)c1nc(NCCc2c[nH]c3ccccc23)c2ncn([C@H](C)CO)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.48
▸ CCNE2 O96020 1/20 0.48
▸ CCNE1 P24864 1/20 0.48
▸ IP6K1 Q92551 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ MKNK1 Q9BUB5 3/20 0.36
▸ MKNK2 Q9HBH9 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ CCNB2 O95067 2/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CCNB1 P14635 2/20 0.36
▸ CCNB3 Q8WWL7 2/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL19278339 1.00 CDK2 (0.48) CDK2CCNE2CCNE1IP6K1ADORA3
SCHEMBL19278526 1.00 CDK2 (0.48) CDK2CCNE2CCNE1IP6K1ADORA3
SCHEMBL23570179 0.84 CDK2 (0.45) CDK2CCNE2CCNE1IP6K1CCNB2
SCHEMBL22566856 0.84 CDK2 (0.45) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL23570137 0.84 CDK2 (0.45) CDK2CCNE2CCNE1IP6K1CCNK
SCHEMBL23569988 0.84 CDK2 (0.45) CDK2CCNE2CCNE1IP6K1CCNK
SCHEMBL23569987 0.83 ADORA2B (0.42) CDK2CCNE2CCNE1IP6K1ADORA3
SCHEMBL23570181 0.83 CDK2 (0.43) CDK2CCNE2CCNE1CCNKCDK12
SCHEMBL23569885 0.83 CDK2 (0.43) CDK2CCNE2CCNE1CCNKCDK12
SCHEMBL23570213 0.83 CDK2 (0.43) CDK2CCNE2CCNE1CCNKCDK12

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-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2017-08-24 — — 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-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 CDK2 3659/4885CCNE2 3415/4885CCNE1 3047/4885

“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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