SCHEMBL1633872

SCHEMBL1633872

CC(C)COc1cccc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.52
CCNA2 P20248 1/20 0.50
CCNA1 P78396 1/20 0.50
CA2 P00918 7/20 0.49
CDK1 P06493 3/20 0.49
CDK7 P50613 3/20 0.49
CDK9 P50750 3/20 0.49
CDK4 P11802 2/20 0.49
KDR P35968 2/20 0.49
CCNT1 O60563 2/20 0.49
CCNH P51946 2/20 0.49
CCND1 P24385 1/20 0.49
CCNB1 P14635 2/20 0.48
CCNE1 P24864 1/20 0.48
CA1 P00915 4/20 0.47
CA9 Q16790 4/20 0.47
STK4 Q13043 2/20 0.46
IKBKB O14920 4/20 0.45
PTK2 Q05397 1/20 0.45
CA12 O43570 1/20 0.44

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
SCHEMBL1632814 0.87 CDK2 (0.52) CDK2CCNA2CCNA1CA2CDK1
SCHEMBL1631941 0.81 STK4 (0.46) CDK2CCNA2CCNA1CA2CDK1
SCHEMBL1633821 0.80 STK4 (0.52) CDK2CA2CDK1CDK7CDK9
SCHEMBL1632315 0.80 JAK2 (0.52) CDK2CCNA2CCNA1CA2CDK1
SCHEMBL1633104 0.80 CDK2 (0.44) CDK2CCNA2CCNA1CA2CDK1
SCHEMBL1634182 0.80 CA1 (0.60) CDK2CA2CDK1CDK7CDK9
SCHEMBL1633446 0.80 IKBKB (0.56) CDK2CA2CA1CA9STK4
SCHEMBL1633222 0.79 STK4 (0.48) CDK2CCNA2CCNA1CA2CDK1
SCHEMBL1634183 0.79 EGFR (0.52) CDK2CCNA2CA2CDK1CA1
SCHEMBL1632931 0.79 CA2 (0.50) CDK2CA2CDK1CDK7CDK9

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-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 CDK2 29/4885CCNA2 731/4885CCNA1 608/4885

“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.