SCHEMBL4276392

SCHEMBL4276392

COc1cc(C#N)cc(C(=O)Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.43
GPR35 Q9HC97 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
MAPT P10636 1/20 0.39
MGLL Q99685 1/20 0.39
RXRA P19793 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL24155 0.87 ALDH1A1 (0.52) ABCG2KDM4EGAANPC1RAB9A
SCHEMBL933732 0.84 RXRA (0.51) GPR35ABCG2KDM4ENPC1RECQL
SCHEMBL11875236 0.82 GSK3B (0.40) GPR35
SCHEMBL5222486 0.82 GSK3B (0.40) GPR35
SCHEMBL3361585 0.82 CES2 (0.47) ABCG2KDM4EGAAALDH1A1RXRA
SCHEMBL5225023 0.82 MAPT (0.48) NPC1RECQLRAB9AALDH1A1MAPT
SCHEMBL1708877 0.82 CA1 (0.48) GPR35KDM4EGAANPC1RECQL
SCHEMBL5229647 0.81 GPR35 (0.43) GPR35GAANPC1RAB9AALDH1A1
SCHEMBL202404 0.80 ALDH1A1 (0.61) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL5225196 0.80 PLA2G2A (0.46) GPR35RAB9AALDH1A1MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426135-B2 Methyl- and trifluromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-10-01 US disclosed
CN-106715416-B The pyrrolopyridine regulator and its application method that the methyl and trifluoromethyl of RORC2 replaces 辉瑞大药厂 2019-07-23 CN disclosed
US-20190150401-A1 Methyl- and Trifluromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2019-05-23 US disclosed
US-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof PFIZER INC. (US) 2019-03-12 US disclosed
US-20180170928-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2018-06-21 US disclosed
US-9920054-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2018-03-20 US disclosed
US-20170233390-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2017-08-17 US disclosed
EP-3197882-A1 METHYL-AND TRIFLUOROMETHYL-SUBSTITUTED PYRROLOPYRIDINE MODULATORS OF RORC2 AND METHODS OF USE THEREOF Pfizer Inc (US) 2017-08-02 EP disclosed
US-9670201-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2017-06-06 US disclosed
US-20160090381-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER (US) 2016-03-31 US disclosed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 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 (7 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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 P4HB 4836/4885GPR35 101/4885ABCG2 451/4885
US-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof RORC, RORB, RORA P4HB 4466/4885GPR35 357/4885ABCG2 4064/4885
US-20180170928-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA P4HB 3883/4885GPR35 246/4885ABCG2 3774/4885
US-20170233390-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA P4HB 3883/4885GPR35 246/4885ABCG2 3774/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 P4HB 4836/4885GPR35 101/4885ABCG2 451/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 P4HB 4836/4885GPR35 101/4885ABCG2 451/4885
US-20160090381-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA P4HB 3883/4885GPR35 246/4885ABCG2 3774/4885

“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.