SCHEMBL17292999

SCHEMBL17292999

COc1ncc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ CYP2C19 P33261 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDE7A Q13946 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
SCHEMBL22437332 0.89 ALDH1A1 (0.51) ALDH1A1CYP2C19MAPTNPSR1PKM
SCHEMBL16047686 0.85 ALDH1A1 (0.57) ALDH1A1MAPTNPSR1PKMPOLB
SCHEMBL30114204 0.80 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1POLBKDR
SCHEMBL29081700 0.80 ALDH1A1 (0.51) ALDH1A1CYP2C19MAPTNPSR1POLB
SCHEMBL30397220 0.80 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1PKMPOLB
SCHEMBL16044717 0.79 ALDH1A1 (0.58) ALDH1A1MAPTNPSR1POLB
SCHEMBL20569282 0.79 ALDH1A1 (0.65) ALDH1A1CYP2C19MAPTNPSR1PKM
SCHEMBL29455943 0.79 ALDH1A1 (0.65) ALDH1A1CYP2C19MAPTNPSR1PKM
SCHEMBL1559460 0.77 ALDH1A1 (0.44) ALDH1A1CYP2C19MAPTPKMKAT2B
SCHEMBL2207311 0.77 HTT (0.50) ALDH1A1MAPTPKMKAT2BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors NOVARTIS AG (CH) 2019-10-15 — — US disclosed
EP-3149001-B1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS NOVARTIS AG (CH) 2019-04-24 — — EP disclosed
US-20180030061-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2018-02-01 — — US disclosed
US-20180030061-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2018-02-01 — — US disclosed
US-9815842-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhibitors NOVARTIS AG (CH) 2017-11-14 — — US disclosed
US-9815842-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhibitors NOVARTIS AG (CH) 2017-11-14 — — US disclosed
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2017-05-04 — — US disclosed
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2017-05-04 — — US disclosed
EP-3149001-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS Novartis AG (CH) 2017-04-05 — — EP disclosed
WO-2015181747-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS NOVARTIS AG (CH) 2015-12-03 — — 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 (3 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-20180030061-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS MMEL1, MALT1, FBP1 ALDH1A1 2655/4885CYP2C19 2158/4885MAPT 3131/4885
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS MMEL1, MALT1, FBP1 ALDH1A1 2655/4885CYP2C19 2158/4885MAPT 3131/4885
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors FBP1, MMEL1, MALT1 ALDH1A1 1763/4885CYP2C19 799/4885MAPT 3413/4885

“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.

Send feedback