SCHEMBL22650503

SCHEMBL22650503

COc1nc(-c2ccnc(N)n2)cc2c1ncn2C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
CDK2 P24941 3/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDC7 O00311 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CCNT1 O60563 3/20 0.36
CDK9 P50750 3/20 0.36
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
CCNA2 P20248 2/20 0.36
CCNA1 P78396 2/20 0.36
DYRK1A Q13627 3/20 0.36
DYRK3 O43781 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL22650407 0.86 L3MBTL1 (0.37) MAPK14SMN1; SMN2CDK2CDK1L3MBTL1
SCHEMBL22650403 0.74 MAPK14 (0.35) MAPK14SMN1; SMN2CDK2CDK1L3MBTL1
SCHEMBL27445903 0.72 L3MBTL1 (0.46) SMN1; SMN2CDK2CDK1CCNB1CCNE1
SCHEMBL22650775 0.70 CDK4 (0.44) CDK2CDK1CDK9CDK5CCNA2
SCHEMBL27445898 0.70 L3MBTL1 (0.42) SMN1; SMN2CDK2CDK1CCNB1CCNE1
SCHEMBL22650721 0.69 SMN1; SMN2 (0.34) SMN1; SMN2CDK2L3MBTL1CCNT1CDK9
SCHEMBL29491141 0.68 SMN1; SMN2 (0.37) MAPK14SMN1; SMN2CDK2CDK1L3MBTL1
SCHEMBL22650600 0.68 MAPK14 (0.40) MAPK14SMN1; SMN2CDK2CDK1L3MBTL1
SCHEMBL29491131 0.68 MAPK14 (0.40) MAPK14SMN1; SMN2CDK2CDK1L3MBTL1
SCHEMBL12451372 0.68 CDK1 (0.67) CDK2CDK1CCNB1CCNE1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040446-A CDK inhibitors 基因泰克公司 2025-05-27 CN disclosed
US-20220296595-A1 CDK INHIBITORS GENENTECH, INC. 2022-09-22 US disclosed
EP-3966213-A1 CDK INHIBITORS Qilu Regor Therapeutics Inc. (CN) 2022-03-16 EP disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO 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-20220296595-A1 CDK INHIBITORS CDKL1, CDK9, CDK6 MAPK14 170/4885SMN1; SMN2 2350/4885CDK2 11/4885

“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.