SCHEMBL5166472

SCHEMBL5166472

COC(=O)c1cc(-n2cnc(C#N)c2)c(C(F)(F)F)cc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.49
MAPT P10636 2/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
ALOX5AP P20292 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABL1 P00519 1/20 0.32
KDR P35968 1/20 0.32
CHEK1 O14757 1/20 0.32
CHEK2 O96017 1/20 0.32

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
SCHEMBL5167410 0.84 CFTR (0.53) CFTRMAPTKDM4EALDH1A1HPGD
SCHEMBL5165199 0.84 CFTR (0.53) CFTRMAPTKDM4EALDH1A1HPGD
SCHEMBL5167789 0.84 TLR2 (0.37) MAPTKDM4EALDH1A1TLR2TLR1
SCHEMBL5166699 0.84 CFTR (0.52) CFTRMAPTKDM4EALDH1A1HPGD
SCHEMBL5167408 0.81 CFTR (0.60) CFTRMAPTKDM4EALDH1A1HPGD
SCHEMBL28761821 0.81 CFTR (0.49) CFTRMAPTKDM4EALDH1A1HPGD
SCHEMBL5169366 0.81 CFTR (0.46) CFTRMAPTKDM4EALDH1A1HPGD
SCHEMBL21028092 0.74 CFTR (0.63) CFTRMAPTKDM4EALDH1A1HPGD
SCHEMBL2597278 0.71 CFTR (0.53) CFTRMAPTKDM4EALDH1A1HPGD
SCHEMBL5168216 0.71 CFTR (0.59) CFTRMAPTKDM4EALDH1A1HPGD

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
EP-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 EP disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
EP-1773788-A2 QUINAZOLINE DERIVATIVES NOVARTIS-PHARMA GMBH (AT) 2007-04-18 EP disclosed
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 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-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 CFTR 430/4885MAPT 2053/4885KDM4E 1450/4885

“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.