SCHEMBL4221265

SCHEMBL4221265

Cc1nc(Nc2ccc(N3CCN(C(=O)O)C(C(C)(C)C)C3)cc2)nc2c1cc(-c1ccn[nH]1)c(=O)n2C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.46
▸ CDK4 P11802 16/20 0.45
▸ CCND1 P24385 16/20 0.45
▸ CCND2 P30279 14/20 0.45
▸ CCND3 P30281 14/20 0.45
▸ CCNA2 P20248 7/20 0.43
▸ CDK2 P24941 7/20 0.43
▸ CCNA1 P78396 5/20 0.43
▸ FGFR1 P11362 4/20 0.43
▸ FGFR2 P21802 4/20 0.43
▸ FGFR4 P22455 4/20 0.43
▸ FGFR3 P22607 4/20 0.43
▸ NUAK1 O60285 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CCNB2 O95067 3/20 0.42
▸ CCNE2 O96020 3/20 0.42
▸ CDK1 P06493 3/20 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
SCHEMBL190132 0.84 CDK4 (0.62) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL4218283 0.83 CDK4 (0.54) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL190547 0.83 CDK4 (0.61) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4220885 0.82 CDK4 (0.53) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL4218445 0.78 PIK3CA (0.51) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL4226220 0.77 PIK3CA (0.49) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL11928210 0.75 KDM4E (0.47) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL4222668 0.74 PIK3CA (0.45) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL4225857 0.74 PIK3CA (0.45) PIK3CACDK4CCND1CCND2CCND3
SCHEMBL4232744 0.74 PIK3CA (0.45) PIK3CACDK4CCND1CCND2CCND3

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
EP-1931670-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K EXELIXIS INC (US) 2012-09-12 — — EP claimed
US-8247408-B2 Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer EXELIXIS, INC. (US) 2012-08-21 — — US claimed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 — — US claimed

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-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885CDK4 265/4885CCND1 805/4885

“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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