SCHEMBL1633539

SCHEMBL1633539

Cn1cc(-c2ccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc3c2OC2CCNCC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.54
CCNB2 O95067 6/20 0.54
CDK1 P06493 6/20 0.54
CCNB1 P14635 6/20 0.54
CDK5 Q00535 6/20 0.54
CDK5R1 Q15078 6/20 0.54
CCNB3 Q8WWL7 6/20 0.54
CCNE2 O96020 6/20 0.54
CCNE1 P24864 6/20 0.54
CCNT1 O60563 5/20 0.54
CDK9 P50750 5/20 0.54
JAK2 O60674 3/20 0.53
JAK1 P23458 3/20 0.53
TYK2 P29597 3/20 0.53
JAK3 P52333 3/20 0.53
TYRO3 Q06418 2/20 0.48
JUN P05412 4/20 0.47
MAPK10 P53779 4/20 0.47
CHEK1 O14757 1/20 0.45
CCNA2 P20248 1/20 0.43

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
SCHEMBL1634861 0.89 JAK2 (0.46) CDK2CCNB2CDK1CCNB1CDK5
SCHEMBL1634357 0.89 AXL (0.43) CDK2CCNB2CDK1CCNB1CDK5
SCHEMBL1632574 0.87 CA1 (0.47) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL1633309 0.86 IKBKB (0.44) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL1632401 0.86 IKBKB (0.52) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL1632587 0.86 IKBKB (0.43) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL1632243 0.85 IKBKB (0.47) CDK2CDK1CCNB1CCNT1CDK9
SCHEMBL1631355 0.85 IKBKB (0.45) CDK2CDK1CCNB1CCNE1CCNT1
SCHEMBL1634447 0.85 IKBKB (0.49) CDK2CDK1CCNB1CCNE1CCNT1
SCHEMBL1634265 0.84 IKBKB (0.45) CDK2CDK1CCNB1CCNT1CDK9

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 29/4885CCNB2 935/4885CDK1 83/4885

“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.