SCHEMBL2313988

SCHEMBL2313988

CC(c1ccc(O)cc1)[C@H](Nc1nc(-c2cccnc2)nc2c1ncn2C(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.42
▸ CDK5 Q00535 11/20 0.42
▸ CDK5R1 Q15078 10/20 0.42
▸ DYRK1A Q13627 7/20 0.42
▸ CCNA2 P20248 6/20 0.42
▸ CCNA1 P78396 6/20 0.42
▸ CDK1 P06493 11/20 0.40
▸ CCNB1 P14635 9/20 0.40
▸ CCNB2 O95067 3/20 0.40
▸ CCNB3 Q8WWL7 3/20 0.40
▸ CCNE1 P24864 8/20 0.40
▸ CDK9 P50750 3/20 0.40
▸ CDK4 P11802 8/20 0.40
▸ CDK7 P50613 8/20 0.40
▸ MAPK1 P28482 7/20 0.40
▸ CCNH P51946 7/20 0.40
▸ CCND1 P24385 6/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ MNAT1 P51948 1/20 0.40
▸ CDK6 Q00534 1/20 0.40

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
SCHEMBL3242817 0.84 ITGB1 (0.46) CDK2CDK5CDK5R1DYRK1ACCNA2
SCHEMBL2312171 0.80 CDK2 (0.46) CDK2CDK5CDK5R1DYRK1ACCNA2
SCHEMBL2313974 0.80 CDK1 (0.45) CDK2CDK5CDK5R1DYRK1ACCNA2
SCHEMBL30315264 0.80 CDK1 (0.45) CDK2CDK5CDK5R1DYRK1ACCNA2
SCHEMBL2314283 0.79 CDK2 (0.47) CDK2CDK5CDK5R1DYRK1ACCNA2
SCHEMBL15422733 0.77 CDK2 (0.42) CDK2CDK5CDK5R1DYRK1ACCNA2
SCHEMBL2317564 0.77 AHR (0.62) CDK2CDK5CDK5R1CCNA2CCNA1
SCHEMBL21016422 0.75 CDK2 (0.48) CDK2CDK5CDK5R1DYRK1ACCNA2
SCHEMBL21017207 0.74 CDK2 (0.52) CDK2CDK5CDK5R1DYRK1ACCNA2
SCHEMBL2317285 0.74 CDK5 (0.46) CDK2CDK5CDK5R1DYRK1ACCNA2

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 CDK2 2032/4885CDK5 3149/4885CDK5R1 2282/4885

“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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