SCHEMBL2313974

SCHEMBL2313974

COC(=O)[C@H](Cc1ccc(O)cc1)Nc1nc(-c2cccnc2)nc2c1ncn2C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 12/20 0.45
▸ CDK5 Q00535 11/20 0.45
▸ CCNB1 P14635 10/20 0.45
▸ CDK5R1 Q15078 10/20 0.45
▸ CCNB2 O95067 5/20 0.45
▸ CCNB3 Q8WWL7 5/20 0.45
▸ CDK2 P24941 13/20 0.43
▸ CDK9 P50750 3/20 0.43
▸ AHR P35869 1/20 0.43
▸ CDK4 P11802 7/20 0.42
▸ MAPK1 P28482 7/20 0.42
▸ CDK7 P50613 7/20 0.42
▸ CCNE1 P24864 7/20 0.42
▸ CCNH P51946 6/20 0.42
▸ CCND1 P24385 5/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ MNAT1 P51948 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ CCNA2 P20248 5/20 0.42
▸ CCNA1 P78396 5/20 0.42

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
SCHEMBL30315264 1.00 CDK1 (0.45) CDK1CDK5CCNB1CDK5R1CCNB2
SCHEMBL3242817 0.92 ITGB1 (0.46) CDK1CDK5CCNB1CDK5R1CCNB2
SCHEMBL2312171 0.89 CDK2 (0.46) CDK1CDK5CCNB1CDK5R1CCNB2
SCHEMBL2314283 0.83 CDK2 (0.47) CDK1CDK5CCNB1CDK5R1CCNB2
SCHEMBL2317564 0.81 AHR (0.62) CDK1CDK5CCNB1CDK5R1CCNB2
SCHEMBL2313988 0.80 CDK2 (0.42) CDK1CDK5CCNB1CDK5R1CCNB2
SCHEMBL21016422 0.80 CDK2 (0.48) CDK1CDK5CCNB1CDK5R1CDK2
SCHEMBL15422733 0.80 CDK2 (0.42) CDK1CDK5CCNB1CDK5R1CCNB2
SCHEMBL2315248 0.78 CDK2 (0.41) CDK1CDK5CCNB1CDK5R1CCNB2
SCHEMBL2311219 0.77 CDK2 (0.46) CDK1CDK5CCNB1CDK5R1CCNB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567569-B2 Methods of culturing and expanding mesenchymal stem cells GAMIDA CELL LTD. (IL) 2017-02-14 — — US disclosed
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby GAMIDA CELL INC. 2014-01-23 — — US disclosed
EP-2350078-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2011-08-03 — — EP 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-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby AHR, HGF, MTNR1A CDK1 4486/4885CDK5 3149/4885CCNB1 2218/4885

“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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