SCHEMBL353906

SCHEMBL353906

[c]1ccc(-n2cncn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2A6 P11509 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIM1 P11309 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL147322 0.72 SMN1; SMN2 (0.55) KDM4EALDH1A1SMN1; SMN2CYP2A6MAPT
SCHEMBL896782 0.70 LMNA (0.45) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL14860938 0.70 CYP2A6 (0.37) KDM4EALDH1A1SMN1; SMN2CYP2A6MAPT
SCHEMBL29935805 0.69 CYP2A6 (0.47) KDM4EALDH1A1SMN1; SMN2CYP2A6PIM1
SCHEMBL2816131 0.69 CYP2A6 (0.47) KDM4EALDH1A1SMN1; SMN2CYP2A6PIM1
SCHEMBL16278275 0.69
SCHEMBL31556855 0.69 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2CYP2A6MAPT
SCHEMBL2397043 0.68
SCHEMBL896573 0.68
SCHEMBL10550633 0.68 KDM4E (0.51) KDM4EALDH1A1MAPTCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-20140221322-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 US claimed
US-20140066412-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 US claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
US-20110230490-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2011-09-22 US claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2010068452-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-20 US disclosed
US-9962377-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2018-05-08 US disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2016-09-29 US disclosed
US-9387205-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2016-07-12 US disclosed
EP-1723135-A1 NOVEL HYDROXY-6-HEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-22 EP disclosed
WO-2006092417-A1 6 -HETEROARYL-1, 2, 3,4,4A, 1OB-HEXAHYDRO-PHENANTHRIDINES AS PDE-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISORDERS NYCOMED GMBH (DE) 2006-09-08 WO disclosed
WO-2005085225-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-15 WO disclosed
US-4954494-A Cardiotonic and inotropic agents RORER PHARMACEUTICAL CORPORATION (US) 1990-09-04 US disclosed
WO-1989008108-A1 PYRIDYL-PYRIDAZINONE AND PYRIDYL-PYRAZOLINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONGESTIVE HEART FAILURE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-09-08 WO disclosed
US-4826835-A INOTROPIC AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-05-02 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 (6 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-20110230490-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 KDM4E 950/4885ALDH1A1 2084/4885SMN1; SMN2 1719/4885
US-20140221322-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 KDM4E 913/4885ALDH1A1 2221/4885SMN1; SMN2 2038/4885
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA KDM4E 1862/4885ALDH1A1 2806/4885SMN1; SMN2 2356/4885
US-20140066412-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 KDM4E 913/4885ALDH1A1 2221/4885SMN1; SMN2 2038/4885
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE12, PDE4B KDM4E 1087/4885ALDH1A1 148/4885SMN1; SMN2 4885/4885
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, AFF2, AFF4 KDM4E 2013/4885ALDH1A1 778/4885SMN1; SMN2 2278/4885

“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.