SCHEMBL19743856

SCHEMBL19743856

COc1cc(F)cc(F)c1CN

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 11/20 0.49
TAAR1 Q96RJ0 3/20 0.46
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL16257102 0.82 TAAR1 (0.38) CD274TAAR1KDM4E
SCHEMBL29303373 0.81 CD274 (0.47) CD274TAAR1HTR2AHTR2CHTR2B
SCHEMBL15544979 0.80 TAAR1 (0.41) CD274TAAR1HTR2AHTR2CHTR2B
SCHEMBL18753168 0.78 HMGCR (0.43) CD274TAAR1KDM4E
SCHEMBL857045 0.78 TAAR1 (0.42) TAAR1HTR2AHTR2CHTR2B
SCHEMBL17694385 0.77 MAOA (0.39) TAAR1HTR2A
SCHEMBL31445781 0.76 TAAR1 (0.34) CD274TAAR1HTR2AKDM4E
SCHEMBL1398120 0.74 TAAR1 (0.37) CD274TAAR1
SCHEMBL22035471 0.74 PTGS2 (0.41) TAAR1KDM4E
SCHEMBL855100 0.72 TAAR1 (0.73) CD274TAAR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689378-B2 Triazolopyridine compounds and uses thereof NOVARTIS AG (CH) 2020-06-23 US disclosed
US-10689378-B2 Triazolopyridine compounds and uses thereof NOVARTIS AG (CH) 2020-06-23 US disclosed
US-10676479-B2 Imidazolepyridine compounds and uses thereof NOVARTIS AG (CH) 2020-06-09 US disclosed
US-10676479-B2 Imidazolepyridine compounds and uses thereof NOVARTIS AG (CH) 2020-06-09 US disclosed
EP-3472161-B1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2020-03-25 EP disclosed
US-20190233426-A1 IMIDAZOLEPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-08-01 US disclosed
US-20190233426-A1 IMIDAZOLEPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-08-01 US disclosed
US-20190202828-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-07-04 US disclosed
US-20190202828-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-07-04 US disclosed
EP-3472161-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2019-04-24 EP disclosed
EP-3472166-A1 IMIDAZOPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER Novartis AG (CH) 2019-04-24 EP disclosed
WO-2017221092-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2017-12-28 WO disclosed
WO-2017221100-A1 IMIDAZOPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2017-12-28 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 (4 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-20190233426-A1 IMIDAZOLEPYRIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, BMI1 CD274 4237/4885TAAR1 3168/4885HTR2A 4160/4885
US-20190202828-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF EZH2, EED, BMI1 CD274 4710/4885TAAR1 1624/4885HTR2A 3790/4885
US-10676479-B2 Imidazolepyridine compounds and uses thereof EZH2, DOT1L, BMI1 CD274 4237/4885TAAR1 3168/4885HTR2A 4160/4885
US-10689378-B2 Triazolopyridine compounds and uses thereof EZH2, EED, BMI1 CD274 4710/4885TAAR1 1624/4885HTR2A 3790/4885

“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.