SCHEMBL16150263

SCHEMBL16150263

O=[N+]([O-])c1ccc2c(c1)C(F)(F)CN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CAPN9 O14815 1/20 0.44
CASP3 P42574 1/20 0.44
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSPA9 P38646 2/20 0.41
SNCA P37840 4/20 0.41
TDP2 O95551 1/20 0.41
AKR1B1 P15121 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
ADRA2A P08913 1/20 0.40
PNMT P11086 1/20 0.40

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
SCHEMBL201301 0.82 MAPT (0.54) MAPTNPC1RAB9ACAPN9CASP3
SCHEMBL31351697 0.80 CYP3A4 (0.51) MAPTNPC1RAB9ACAPN9CASP3
SCHEMBL25172680 0.77 MAPT (0.46) MAPTNPC1RAB9ACAPN9CASP3
SCHEMBL20242100 0.75 MAPT (0.44) MAPTNPC1RAB9ACAPN9CASP3
SCHEMBL429310 0.72 MAPT (0.57) MAPTNPC1RAB9ACAPN9CASP3
SCHEMBL31036106 0.72 CYP3A4 (0.53) CAPN9CASP3CYP3A4ALDH1A1CYP2C9
SCHEMBL5185834 0.72 CYP3A4 (0.53) CAPN9CASP3CYP3A4ALDH1A1CYP2C9
SCHEMBL9143251 0.72 MAPT (0.50) MAPTNPC1RAB9ACAPN9CASP3
SCHEMBL1011970 0.71 MAPT (0.52) MAPTNPC1RAB9ACAPN9CASP3
Hydrochloric Acid SCHEMBL4967505 0.71 MAPT (0.56) MAPTNPC1RAB9ACAPN9CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688662-B2 N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-quinazolinamine and N-(2,3-dihydro-1H-indol-5-yl)-4-quinazolinamine derivatives as perk inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
EP-2989091-B1 NOVEL N-(2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-4- QUINAZOLINAMINE AND N-(2,3-DIHYDRO-1H-INDOL-5-YL)-4- QUINAZOLINAMINE DERIVATIVES AS PERK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-05-10 EP disclosed
EP-2989091-A1 NOVEL N-(2,3-DIHYDRO-1H-PYRROLO[2,3-B]JPYRIDIN-5-YL)-4- QUINAZOLINAMINE AND N-(2,3-DIHYDRO-1H-INDOL-5-YL)-4- QUINAZOLINAMINE DERIVATIVES AS PERK INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2016-03-02 EP disclosed
US-20160039798-A1 NOVEL N-(2,3-DIHYDRO-1H-PYRROLO[2,3-b]PYRIDIN-5-YL)-4-QUINAZOLINAMINE AND N-(2,3-DIHYDRO-1H-INDOL-5-YL)-4-QUINAZOLINAMINE DERIVATIVES AS PERK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-11 US disclosed
WO-2014161808-A1 NOVEL N-(2,3-DIHYDRO-1H-PYRROLO[2,3-B]JPYRIDIN-5-YL)-4- QUINAZOLINAMINE AND N-(2,3-DIHYDRO-1H-INDOL-5-YL)-4- QUINAZOLINAMINE DERIVATIVES AS PERK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-09 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-20160039798-A1 NOVEL N-(2,3-DIHYDRO-1H-PYRROLO[2,3-b]PYRIDIN-5-YL)-4-QUINAZOLINAMINE AND N-(2,3-DIHYDRO-1H-INDOL-5-YL)-4-QUINAZOLINAMINE DERIVATIVES AS PERK INHIBITORS MAPK1, RPS6KA1, RPS6KA5 MAPT 2401/4885NPC1 2572/4885RAB9A 1864/4885

“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.