SCHEMBL1633112

SCHEMBL1633112

COc1ccc2cnc(Nc3cccc(S(N)(=O)=O)c3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.56
BMPR2 Q13873 7/20 0.54
JAK3 P52333 4/20 0.53
JAK1 P23458 1/20 0.53
CDK1 P06493 5/20 0.53
CDK2 P24941 5/20 0.53
CDK5 Q00535 5/20 0.53
FLT3 P36888 3/20 0.53
CCNT1 O60563 2/20 0.53
CCNB1 P14635 2/20 0.53
CCNE1 P24864 2/20 0.53
CDK9 P50750 2/20 0.53
CDK5R1 Q15078 2/20 0.53
CCNA2 P20248 1/20 0.53
CCND3 P30281 1/20 0.53
CDK6 Q00534 1/20 0.53
CDC7 O00311 3/20 0.52
CHEK1 O14757 3/20 0.52
AURKA O14965 3/20 0.52
DCLK1 O15075 3/20 0.52

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
SCHEMBL1633099 0.87 IKBKB (0.65) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL1633690 0.85 IKBKB (0.57) BRD4CDK1CDK2CCNA2EGFR
SCHEMBL1633964 0.83 SYK (0.57) JAK3JAK1CDK1CDK2CDK5
SCHEMBL1633319 0.82 JAK3 (0.49) BMPR2JAK3JAK1CDK1CDK2
SCHEMBL6768234 0.81 IKBKB (0.49) CDK1CDK2MAPK1KDRIKBKB
Hydrochloric Acid SCHEMBL28182076 0.80 PDGFRB (0.58) CDK1CDK2CCNB1CCNE1MAPK1
SCHEMBL13763862 0.77 EIF2AK4 (0.55) BMPR2JAK3CDK1CDK2CDK5
SCHEMBL27907054 0.76 CA2 (0.56) BRD4BMPR2CDK2CCNT1CCNE1
SCHEMBL1634724 0.76 IKBKB (0.62) CDK1CDK2CCNT1CCNB1CDK9
SCHEMBL26531643 0.75 LYN (0.75) BRD4JAK3JAK1JAK2LCK

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 5 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO 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 BRD4 268/4885BMPR2 3749/4885JAK3 2027/4885

“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.