SCHEMBL16166013

SCHEMBL16166013

Cc1cc(Br)cnc1NN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 2/20 0.42
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
EDNRA P25101 1/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
UHRF1 Q96T88 1/20 0.34
MAPT P10636 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM5 P41594 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2967953 0.81 ALDH1A1 (0.43) ALDH1A1NPC1S1PR1S1PR3EDNRA
SCHEMBL28815247 0.79 ALDH1A1 (0.46) ALDH1A1NPC1S1PR1S1PR3EDNRA
SCHEMBL17696444 0.78 NOS3 (0.52) ALDH1A1UHRF1MAPTCYP1A2GRM5
SCHEMBL16268336 0.78 KMT2A (0.52) ALDH1A1NPC1KMT2AHTTSMN1; SMN2
SCHEMBL19260116 0.76 ALDH1A1 (0.40) ALDH1A1NPC1S1PR1S1PR3EDNRA
SCHEMBL17593229 0.76 NPC1 (0.47) ALDH1A1NPC1S1PR1S1PR3EDNRA
SCHEMBL15254074 0.75 KMT2A (0.39) ALDH1A1NPC1KMT2AHTTMEN1
SCHEMBL15167171 0.75 PLAU (0.46) ALDH1A1NPC1S1PR1S1PR3KMT2A
SCHEMBL15008177 0.75 AGBL2 (0.41) ALDH1A1NPC1UHRF1MAPTKDM4E
SCHEMBL25366886 0.75 NPC1 (0.49) ALDH1A1NPC1EDNRAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709722-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 EP disclosed
WO-2024233547-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 WO disclosed
WO-2018086585-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed
US-9751862-B2 Pesticidally active substituted pyridyl carboxamides SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
US-9750253-B2 Pesticidally active substituted pyridyl carboxamides SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
EP-3004110-B1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-07-26 EP disclosed
US-20170107200-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-04-20 US disclosed
EP-2984083-B1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-01-25 EP disclosed
EP-3004110-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2016-04-13 EP disclosed
US-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-07 US disclosed
US-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-07 US disclosed
US-20160050924-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2016-02-25 US disclosed
EP-2984083-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES Syngenta Participations AG (CH) 2016-02-17 EP disclosed
US-8975417-B2 Pyrazolopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-03-10 US disclosed
US-8975417-B2 Pyrazolopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-03-10 US disclosed
WO-2014191896-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-12-04 WO disclosed
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2014-11-27 US disclosed
WO-2014166795-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 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-20160050924-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES CBR3, CBR1, CYCS ALDH1A1 2181/4885NPC1 3544/4885S1PR1 652/4885
US-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE PKD1, PKD2, REN ALDH1A1 777/4885NPC1 326/4885S1PR1 356/4885
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease PKD1, PKD2, REN ALDH1A1 766/4885NPC1 327/4885S1PR1 344/4885
US-20170107200-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES CBR3, CBR1, CYCS ALDH1A1 3242/4885NPC1 3642/4885S1PR1 1663/4885

“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.