SCHEMBL5168216

SCHEMBL5168216

COC(=O)c1cc(N2CCC2)c(C(F)(F)F)cc1N

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.59
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
S1PR1 P21453 1/20 0.41
RBP4 P02753 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABL1 P00519 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
SCHEMBL5166082 0.89 CFTR (0.55) CFTRKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5165148 0.89 CFTR (0.55) CFTRKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL5168841 0.80 SIRT6 (0.47) SMN1; SMN2NPSR1ALDH1A1MAPT
SCHEMBL5167408 0.80 CFTR (0.60) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL22833377 0.76 CFTR (0.70) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL2475128 0.76 CFTR (0.70) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL6163685 0.75 LMNA (0.39) MAPTS1PR1
SCHEMBL6606332 0.75 MAPT (0.38) KDM4ESMN1; SMN2NPSR1MAPTGAA
SCHEMBL23040878 0.75 CFTR (0.68) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL3533161 0.75 CFTR (0.68) CFTRKDM4EALDH1A1MAPTHPGD

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 1450/4885NPC1 895/4885

“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.