SCHEMBL5167410

SCHEMBL5167410

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.53
KDM4E B2RXH2 3/20 0.39
PDE3B Q13370 1/20 0.39
MAPT P10636 2/20 0.39
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ATR Q13535 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAP3K5 Q99683 2/20 0.35
HSP90AA1 P07900 2/20 0.35
MBOAT4 Q96T53 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL5165199 0.88 CFTR (0.53) CFTRKDM4EMAPTTLR2TLR1
SCHEMBL5166699 0.87 CFTR (0.52) CFTRKDM4EMAPTTLR2TLR1
SCHEMBL5167408 0.85 CFTR (0.60) CFTRKDM4EMAPTALDH1A1GLA
SCHEMBL28761821 0.84 CFTR (0.49) CFTRKDM4EMAPTTLR2TLR1
SCHEMBL5166472 0.84 CFTR (0.49) CFTRKDM4EMAPTTLR2TLR1
SCHEMBL5167327 0.82 SMN1; SMN2 (0.37) CFTRKDM4EPDE3BMAPTTLR2
SCHEMBL5169366 0.82 CFTR (0.46) CFTRKDM4EMAPTTLR2TLR1
SCHEMBL2597278 0.74 CFTR (0.53) CFTRKDM4EMAPTALDH1A1GLA
SCHEMBL5168216 0.74 CFTR (0.59) CFTRKDM4EMAPTALDH1A1GLA
SCHEMBL31603104 0.73 CFTR (0.68) CFTRKDM4EMAPTALDH1A1GLA

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 430/4885KDM4E 1450/4885PDE3B 47/4885

“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.