SCHEMBL2264569

SCHEMBL2264569

[c]1cccc(-n2ccnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.46
CYP2A6 P11509 1/20 0.42
ALOX15 P16050 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
IDO1 P14902 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 4/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
LMNA P02545 5/20 0.39
ENPP2 Q13822 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
NOTUM Q6P988 1/20 0.39
CYP1A2 P05177 7/20 0.39
CYP2D6 P10635 7/20 0.39
TDP1 Q9NUW8 6/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 3/20 0.39

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
SCHEMBL16834463 0.76
SCHEMBL6597600 0.76 CYP3A4 (0.39) CYP3A4CYP2A6ALOX15MEN1KMT2A
SCHEMBL10066877 0.74 CYP3A4 (0.54) CYP3A4CYP2A6ALOX15MEN1KMT2A
SCHEMBL28614447 0.72 CYP3A4 (0.52) CYP3A4CYP2A6ALOX15MEN1KMT2A
SCHEMBL18429869 0.72 CYP3A4 (0.42) CYP3A4CYP2A6ALOX15MEN1KMT2A
SCHEMBL29401947 0.71 CYP3A4 (0.55) CYP3A4CYP2A6ALOX15MEN1KMT2A
SCHEMBL117382 0.71 CYP3A4 (0.55) CYP3A4CYP2A6ALOX15MEN1KMT2A
SCHEMBL4675590 0.69 MAPT (0.49) CYP3A4CYP2A6ALOX15MEN1KMT2A
Hydrochloric Acid SCHEMBL6446846 0.69 CYP3A4 (0.53) CYP3A4CYP2A6ALOX15MEN1KMT2A
SCHEMBL16923125 0.69 CYP3A4 (0.48) CYP3A4CYP2A6ALOX15MEN1KMT2A

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 30 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 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
US-20150352096-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-10 US disclosed
US-9149479-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2015-10-06 US disclosed
US-20150119389-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 US disclosed
US-8883818-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2014-11-11 US disclosed
EP-2589599-B1 Novel hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2014-06-25 EP disclosed
US-20140073636-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US disclosed
US-8455653-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2013-06-04 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-2006082185-A1 NOVEL 6-PYRIDYLPHENANTHRIDINES NYCOMED GMBH (DE) 2006-08-10 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-6900209-B2 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition MERCK SHARP & DOHME LTD. 2005-05-31 US disclosed
US-20040043982-A1 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2004-03-04 US disclosed
US-6613766-B1 Compounds such as 3-(5-methylisoxazol-3-yl)-5-(2-pyridyl-methyloxy)-1,2,3a,4,6 -pentaazacyclopenta(a)naphthalene, having high receptivity for the inhibitory neurotransmitter, gamma-aminobutyric acid (GABA); learning enhancement MERCK SHARP & DOHME LTD. 2003-09-02 US disclosed
EP-0986562-B1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME (GB) 2002-08-07 EP disclosed
US-6313125-B1 FOR ENHANCING COGNITION IN PATIENTS SUFFERING FROM ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2001-11-06 US disclosed
US-6310203-B1 Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands MERCK SHARPE & DOHME LIMITED (GB) 2001-10-30 US disclosed
US-6200975-B1 FOR COGNITION ENHANCEMENT THERAPY MERCK SHARP & DOHME LIMITED (GB) 2001-03-13 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 (5 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-20150352096-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 CYP3A4 26/4885CYP2A6 53/4885ALOX15 2613/4885
US-20140073636-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 CYP3A4 26/4885CYP2A6 53/4885ALOX15 2613/4885
US-20040043982-A1 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition PSEN1, BDNF, H1-5 CYP3A4 2494/4885CYP2A6 2808/4885ALOX15 479/4885
US-20150119389-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C CYP3A4 31/4885CYP2A6 63/4885ALOX15 2937/4885
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE12, PDE4B CYP3A4 24/4885CYP2A6 38/4885ALOX15 2115/4885

“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.