SCHEMBL5167600

SCHEMBL5167600

COC(=O)c1cc(-n2cnc(-c3ccc(OC)cc3)c2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.44
TLR1 Q15399 6/20 0.44
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PLA2G2A P14555 2/20 0.38
SIRT6 Q8N6T7 1/20 0.37

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
SCHEMBL5167994 0.89 TLR2 (0.43) TLR2TLR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5169366 0.85 CFTR (0.46) TLR2TLR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5165313 0.83 TLR2 (0.39) TLR2TLR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5167327 0.83 SMN1; SMN2 (0.37) TLR2TLR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5165019 0.82 MAPK1 (0.37) TLR2TLR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5167789 0.82 TLR2 (0.37) TLR2TLR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL27688725 0.80 TLR2 (0.40) TLR2TLR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5168708 0.74 TLR2 (0.39) TLR2TLR1KDM4EALDH1A1HPGD
SCHEMBL2597282 0.71 ALDH1A1 (0.56) KDM4ESMN1; SMN2ALDH1A1MAPTCYP1A2
SCHEMBL5168841 0.71 SIRT6 (0.47) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2D6

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 7 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-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 TLR2 3794/4885TLR1 3599/4885KDM4E 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.