SCHEMBL10159014

SCHEMBL10159014

COc1ccc(C(Nc2nc(N3CC[C@@H](NC(=O)N[C@@H]4CCN(C)C4)C3)nc3c2ncn3[C@@H]2C[C@H](n3ncc(CO)n3)[C@@H](O)[C@H]2O)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.36
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CCNE2 O96020 1/20 0.35
ADORA3 P0DMS8 7/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
ADORA2A P29274 6/20 0.33
ADORA1 P30542 5/20 0.33
KARS1 Q15046 1/20 0.32
P2RX3 P56373 1/20 0.32
SMPD3 Q9NY59 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL2997650 0.97 CCNE2 (0.36) EGFRCCNE1CDK2CCNE2ADORA3
SCHEMBL10158820 0.97 CCNE2 (0.36) EGFRCCNE1CDK2CCNE2ADORA3
SCHEMBL2997648 0.97 CCNE2 (0.36) EGFRCCNE1CDK2CCNE2ADORA3
SCHEMBL2997653 0.97 CCNE2 (0.36) EGFRCCNE1CDK2CCNE2ADORA3
SCHEMBL10159389 0.86 CCNE2 (0.35) CCNE1CDK2CCNE2ADORA3PRKAG1
SCHEMBL10158717 0.86 ADORA2A (0.43) ADORA3ADORA2A
SCHEMBL10159008 0.86 ADORA2A (0.38) EGFRCCNE1CDK2CCNE2ADORA3
SCHEMBL10158712 0.86 ADORA2A (0.44) EGFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL10159023 0.84 AHCY (0.37) EGFRADORA3ADORA2A
SCHEMBL10158813 0.83 ADORA2A (0.40) EGFRCCNE1CDK2CCNE2ADORA3

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
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 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-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 EGFR 3040/4885CCNE1 425/4885CDK2 529/4885

“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.