SCHEMBL1865407

SCHEMBL1865407

NC(=O)c1ccc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.53
CDK1 P06493 4/20 0.48
CDK2 P24941 4/20 0.48
CDK9 P50750 3/20 0.48
CCNT1 O60563 2/20 0.48
CDK7 P50613 2/20 0.48
CCNH P51946 2/20 0.48
CCNB1 P14635 1/20 0.48
CA2 P00918 11/20 0.47
CA1 P00915 9/20 0.46
CA9 Q16790 9/20 0.46
CA12 O43570 5/20 0.46
CA4 P22748 3/20 0.46
IKBKB O14920 1/20 0.46
CA14 Q9ULX7 4/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
KDR P35968 1/20 0.45
CA6 P23280 2/20 0.45
CA7 P43166 2/20 0.45

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
SCHEMBL1570607 0.91 CA2 (0.49) SYKCDK1CDK2CDK9CCNT1
SCHEMBL1633518 0.91 SYK (0.53) SYKCDK1CDK2CDK9CCNT1
SCHEMBL1571641 0.87 CA2 (0.49) CDK1CDK2CDK9CCNT1CDK7
SCHEMBL1872174 0.87 CA2 (0.52) SYKCDK1CDK2CDK9CCNT1
SCHEMBL1866446 0.85 STK17A (0.52) CDK1CDK2CDK9CCNT1CDK7
SCHEMBL1633230 0.84 CA2 (0.52) SYKCDK1CDK2CDK9CCNT1
SCHEMBL1571457 0.84 CDK1 (0.51) SYKCDK1CDK2CDK9CCNT1
SCHEMBL3502719 0.84 MTOR (0.62) SYKCDK1CDK2CDK9CCNT1
SCHEMBL1868131 0.84 SYK (0.54) SYKCDK1CDK2CDK9CCNT1
SCHEMBL1571117 0.83 IKBKB (0.55) CDK1CDK2CDK9CCNT1CDK7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO claimed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US claimed
CN-101652352-A Quinazolines for PDK1 inhibition NOVARTIS VACCINES & DIAGNOSTIC 2010-02-17 CN claimed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 SYK 4095/4885CDK1 75/4885CDK2 39/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 SYK 4070/4885CDK1 15/4885CDK2 11/4885

“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.