SCHEMBL1633771

SCHEMBL1633771

COCCNc1ccc(-c2c(-c3cnn(C)c3)ccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc23)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.50
CCNE1 P24864 7/20 0.50
CCNB2 O95067 6/20 0.50
CDK1 P06493 6/20 0.50
CCNB1 P14635 6/20 0.50
CDK5 Q00535 6/20 0.50
CDK5R1 Q15078 6/20 0.50
CCNB3 Q8WWL7 6/20 0.50
CCNE2 O96020 6/20 0.50
CCNT1 O60563 5/20 0.50
CDK9 P50750 5/20 0.50
JUN P05412 4/20 0.44
MAPK10 P53779 4/20 0.44
TTK P33981 3/20 0.44
CCNA2 P20248 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
IKBKB O14920 2/20 0.40

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
SCHEMBL1633492 0.89 CDK2 (0.49) CDK2CCNE1CCNB2CDK1CCNB1
SCHEMBL1633294 0.84 CDK2 (0.65) CDK2CCNE1CCNB2CDK1CCNB1
SCHEMBL1633841 0.84 CDK2 (0.58) CDK2CCNE1CCNB2CDK1CCNB1
SCHEMBL1632090 0.83 CDK2 (0.62) CDK2CCNE1CCNB2CDK1CCNB1
SCHEMBL1633013 0.81 CDK2 (0.61) CDK2CCNE1CCNB2CDK1CCNB1
SCHEMBL1634634 0.81 MAPK10 (0.48) CDK2CDK1CCNT1CDK9JUN
SCHEMBL1632249 0.80 CCNB2 (0.53) CDK2CCNE1CCNB2CDK1CCNB1
SCHEMBL1631220 0.79 MAPK10 (0.60) CDK2CCNE1CCNB2CDK1CCNB1
SCHEMBL1633507 0.78 NTRK1 (0.44) CDK2CCNE1CCNB2CDK1CCNB1
SCHEMBL1631876 0.75 CDK2 (0.51) CDK2CCNE1CCNB2CDK1CCNB1

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 29/4885CCNE1 637/4885CCNB2 935/4885

“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.