SCHEMBL20265129

SCHEMBL20265129

Nc1ccc2[c]cccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.48
NCF1 P14598 6/20 0.48
NOS2 P35228 1/20 0.48
PLAU P00749 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
NQO2 P16083 1/20 0.35
MAOA P21397 1/20 0.35
DRD1 P21728 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.35
CASP1 P29466 1/20 0.35
ADRA1A P35348 1/20 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
SCHEMBL20265138 0.79 MAOA (0.35) KDM4EMAOATDP1
SCHEMBL426806 0.77 CYP1A2 (0.50) NCF1NOS2KDM4EALDH1A1NQO2
SCHEMBL16049736 0.75
SCHEMBL9799101 0.75 ACHE (0.31) ACHE
SCHEMBL481985 0.72 ALDH1A1 (0.46) BACE1NCF1NOS2KDM4EALDH1A1
SCHEMBL20265052 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL12471686 0.72 DCPS (0.38) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL20264856 0.72 GRM2 (0.42) ALDH1A1GAAMAPT
SCHEMBL20265014 0.71 KDM4E (0.39) KDM4EALDH1A1HPGDNQO2SMN1; SMN2
SCHEMBL20264922 0.71 NQO1 (0.38) KDM4EALDH1A1

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
EP-3558969-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2019-10-30 EP claimed
WO-2018119036-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. (US) 2018-06-28 WO claimed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US claimed
CN-113473971-B Pharmaceutical formulations 詹森药业有限公司 2024-07-02 CN disclosed
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID JANSSEN PHARMACEUTICA NV (BE) 2023-10-05 US disclosed
CN-115884773-A Pharmaceutical preparation 詹森药业有限公司 2023-03-31 CN disclosed
US-20220175760-A1 PHARMACEUTICAL FORMULATIONS JANSSEN PHARMACEUTICA NV (BE) 2022-06-09 US disclosed
EP-3927324-A1 PHARMACEUTICAL FORMULATIONS Janssen Pharmaceutica NV (BE) 2021-12-29 EP disclosed
CN-113473971-A Pharmaceutical formulations 詹森药业有限公司 2021-10-01 CN disclosed
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
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

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-10954214-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 BACE1 466/4885NCF1 2448/4885NOS2 2915/4885
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID MALT1, MGAM, MGLL BACE1 2436/4885NCF1 3191/4885NOS2 3837/4885
US-20220175760-A1 PHARMACEUTICAL FORMULATIONS TREH, F12, CEL BACE1 4080/4885NCF1 3204/4885NOS2 3158/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 BACE1 466/4885NCF1 2448/4885NOS2 2915/4885

“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.