SCHEMBL17293155

SCHEMBL17293155

Nc1ccc(-n2cc(CNC(=O)O)cn2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.41
KLKB1 P03952 3/20 0.38
MALT1 Q9UDY8 2/20 0.38
BIRC3 Q13489 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL18805717 0.84 CA12 (0.38) P2RX7MALT1BIRC3SMN1; SMN2HPGD
SCHEMBL29971591 0.84 CA12 (0.38) P2RX7MALT1BIRC3SMN1; SMN2HPGD
SCHEMBL20265510 0.82 ALDH1A1 (0.44) P2RX7SMN1; SMN2HPGDGAAALDH1A1
SCHEMBL17292939 0.80 MALT1 (0.38) P2RX7KLKB1MALT1SMN1; SMN2HPGD
SCHEMBL19812719 0.78 CYP3A4 (0.31) P2RX7KLKB1SMN1; SMN2ALDH1A1POLB
SCHEMBL20265454 0.73 GABRA2 (0.51) SMN1; SMN2GAAALDH1A1CYP1A2TSHR
SCHEMBL18153097 0.72 ALDH1A1 (0.45) SMN1; SMN2HPGDGAAALDH1A1POLB
SCHEMBL24257749 0.71 MAPT (0.44) SMN1; SMN2HPGDGAAALDH1A1POLB
SCHEMBL20319504 0.70 ALDH1A1 (0.41) SMN1; SMN2HPGDGAAALDH1A1POLB
SCHEMBL25432273 0.69 MAPT (0.44) SMN1; SMN2GAAALDH1A1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954214-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-03-23 US disclosed
EP-3558969-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2019-10-30 EP disclosed
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
WO-2018119036-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. (US) 2018-06-28 WO disclosed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 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-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 (5 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 P2RX7 1566/4885KLKB1 2163/4885MALT1 2/4885
US-10954214-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 P2RX7 3647/4885KLKB1 3260/4885MALT1 1/4885
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS MMEL1, MALT1, FBP1 P2RX7 1566/4885KLKB1 2163/4885MALT1 2/4885
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors FBP1, MMEL1, MALT1 P2RX7 1009/4885KLKB1 1400/4885MALT1 3/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 P2RX7 3647/4885KLKB1 3260/4885MALT1 1/4885

“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.