SCHEMBL5169366

SCHEMBL5169366

COC(=O)c1cc(-n2cnc(-c3ccc(OC)cc3)c2)c(C(F)(F)F)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.46
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSP90AA1 P07900 3/20 0.40
PLA2G2A P14555 2/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL5167600 0.85 TLR2 (0.44) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL5165199 0.82 CFTR (0.53) CFTRKDM4EALDH1A1HPGDCASP1
SCHEMBL5167410 0.82 CFTR (0.53) CFTRKDM4EALDH1A1HPGDCASP1
SCHEMBL5166699 0.81 CFTR (0.52) CFTRKDM4EALDH1A1HPGDCASP1
SCHEMBL5166472 0.81 CFTR (0.49) CFTRKDM4EALDH1A1HPGDCASP1
SCHEMBL5167408 0.79 CFTR (0.60) CFTRKDM4EALDH1A1HPGDCASP1
SCHEMBL28761821 0.78 CFTR (0.49) CFTRKDM4EALDH1A1HPGDCASP1
SCHEMBL5168708 0.75 TLR2 (0.39) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL11603338 0.69 L3MBTL1 (0.54) KDM4EALDH1A1HPGDTP53NPC1
SCHEMBL2597278 0.69 CFTR (0.53) CFTRKDM4EALDH1A1HPGDCASP1

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 1450/4885ALDH1A1 460/4885

“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.