SCHEMBL355117

SCHEMBL355117

[c]1csc(-c2cccnc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.53
CYP3A4 P08684 4/20 0.50
CYP19A1 P11511 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.50
AXL P30530 1/20 0.50
PBRM1 Q86U86 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
CYP2E1 P05181 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2B6 P20813 3/20 0.49
KDM4E B2RXH2 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL2546824 0.76 LMNA (0.42) CYP3A4CYP19A1ALDH1A1CYP1A2CYP2C9
SCHEMBL1424931 0.70 KDM4E (0.75) CYP2A6CYP3A4CYP19A1ALDH1A1CYP1A2
SCHEMBL30473120 0.70 CYP2A6 (1.00) CYP2A6CYP3A4CYP19A1ALDH1A1CYP1A2
SCHEMBL120088 0.70 CYP2A6 (1.00) CYP2A6CYP3A4CYP19A1ALDH1A1CYP1A2
SCHEMBL29419014 0.70 CYP2A6 (1.00) CYP2A6CYP3A4CYP19A1ALDH1A1CYP1A2
SCHEMBL252650 0.69 CYP2A6 (1.00) CYP2A6CYP3A4CYP19A1ALDH1A1CYP1A2
SCHEMBL29381812 0.69 CYP2A6 (1.00) CYP2A6CYP3A4CYP19A1ALDH1A1CYP1A2
SCHEMBL7510817 0.69 RAB9A (0.44) CYP19A1ALDH1A1CYP1A2KDM4ERAB9A
SCHEMBL1680218 0.68 CYP2A6 (0.55) CYP2A6CYP3A4CYP19A1ALDH1A1CYP1A2
SCHEMBL2649865 0.68 DYRK1A (0.55) CYP2A6CYP3A4CYP19A1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9962377-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2018-05-08 US claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2016-09-29 US claimed
CN-104817534-A Novel hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors ALTANA PHARMA AG 2015-08-05 CN claimed
US-8883818-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2014-11-11 US claimed
US-20140073636-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US claimed
EP-1723135-B1 NOVEL HYDROXY-6-HEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2013-06-19 EP claimed
US-8455653-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2013-06-04 US claimed
US-20130045974-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2013-02-21 US claimed
US-8318944-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2012-11-27 US claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 US claimed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO claimed
EP-1180110-A1 13-METHYL-ERYTHROMYCIN DERIVATIVES Pfizer Products Inc. (US) 2002-02-20 EP claimed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO claimed
EP-1146051-A2 Erythromycin A derivatives Pfizer Products Inc. (US) 2001-10-17 EP claimed
WO-2000071557-A1 13-METHYL-ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-5470862-A Intravenous anesthetics OHMEDA PHARMACEUTICAL PRODUCTS DIVISION INC. (US) 1995-11-28 US claimed

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-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 CYP2A6 2564/4885CYP3A4 2475/4885CYP19A1 2839/4885
US-20140073636-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 CYP2A6 53/4885CYP3A4 26/4885CYP19A1 150/4885
US-20130045974-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C CYP2A6 63/4885CYP3A4 31/4885CYP19A1 782/4885
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE12, PDE4B CYP2A6 38/4885CYP3A4 24/4885CYP19A1 18/4885

“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.