SCHEMBL21755893

SCHEMBL21755893

CCSc1nc(N)nc2[nH]cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.41
CDK1 P06493 10/20 0.37
CCNB1 P14635 10/20 0.37
CCNA2 P20248 9/20 0.37
CDK2 P24941 9/20 0.37
CCNA1 P78396 9/20 0.37
PIN1 Q13526 2/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
TOP2A P11388 1/20 0.36
HPGD P15428 1/20 0.36
NUDT1 P36639 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSP90AA1 P07900 1/20 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
SCHEMBL8826177 0.88 SLC29A1 (0.47) MAP3K5CDK1CCNB1CCNA2CDK2
SCHEMBL432160 0.84 PAK1 (0.48) MAP3K5CDK1CCNB1CCNA2CDK2
SCHEMBL130799 0.81 MAP3K5 (0.56) MAP3K5CDK1CCNB1CCNA2CDK2
SCHEMBL13742847 0.80 HSP90AA1 (0.35) MAP3K5PIN1POLBCYP2C19ALDH1A1
SCHEMBL13742759 0.80 MAP3K5 (0.35) MAP3K5PIN1POLBCYP2C19ALDH1A1
SCHEMBL21316654 0.80 MAP3K5 (0.38) MAP3K5CDK1CCNB1CCNA2CDK2
SCHEMBL2359623 0.80 CYP1A2 (0.40) MAP3K5CDK1CCNB1CCNA2CDK2
SCHEMBL9346521 0.80 MAP3K5 (0.41) MAP3K5CDK2PIN1POLBCYP2C19
SCHEMBL3305050 0.79 PIN1 (0.48) PIN1POLBCYP2C19ALDH1A1CYP1A2
SCHEMBL17663669 0.79 SLC29A1 (0.36) MAP3K5CDK1CCNB1CCNA2CDK2

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-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 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-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG MAP3K5 122/4885CDK1 199/4885CCNB1 927/4885

“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.