SCHEMBL7413898

SCHEMBL7413898

Cc1nnc(NN)c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.75
MAOA P21397 2/20 0.75
PTGS1 P23219 2/20 0.75
MAPT P10636 2/20 0.75
TDP1 Q9NUW8 2/20 0.75
ADORA3 P0DMS8 1/20 0.75
OPRM1 P35372 1/20 0.75
KCNH2 Q12809 1/20 0.75
GOT1 P17174 3/20 0.60
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RXFP1 Q9HBX9 3/20 0.51
ENPP3 O14638 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48

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
Dihydralazine SCHEMBL29484435 0.87 ALDH1A1 (1.00) ALDH1A1MAOAPTGS1MAPTTDP1
Dihydralazine SCHEMBL149629 0.87 ALDH1A1 (1.00) ALDH1A1MAOAPTGS1MAPTTDP1
Dihydralazine SCHEMBL3462832 0.82 ALDH1A1 (0.90) ALDH1A1MAOAPTGS1MAPTTDP1
SCHEMBL25861219 0.81 ALDH1A1 (0.58) ALDH1A1MAOAPTGS1MAPTTDP1
SCHEMBL89446 0.79 SMN1; SMN2 (0.58) ALDH1A1KMT2AMEN1NPC1RAB9A
Dihydralazine SCHEMBL2129435 0.78 ALDH1A1 (0.72) ALDH1A1MAOAPTGS1MAPTTDP1
SCHEMBL15721355 0.77 ALDH1A1 (0.78) ALDH1A1MAOAPTGS1MAPTTDP1
Ammonia Solution, Strong SCHEMBL27658861 0.77 SMN1; SMN2 (0.56) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL31146711 0.75 GOT1 (1.00) ALDH1A1MAOAPTGS1MAPTTDP1
SCHEMBL19358618 0.75 MAPT (0.75) ALDH1A1MAOAPTGS1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106047-B2 (4-Methoxyphenyl)-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-amine; phosphodiesterase inhibitors; septic shock or vascular edema; neoangiogenesis or inflammatory disease NYCOMED GMBH (DE) 2012-01-31 US disclosed
US-20110136803-A1 Triazolophthalazines NYCOMED GMBH (DE) 2011-06-09 US disclosed
US-7851472-B2 Triazolophthalazines NYCOMED GMBH (DE) 2010-12-14 US disclosed
US-20100286140-A1 TRIAZOLOPHTHALAZINES NYCOMED GMBH (DE) 2010-11-11 US disclosed
US-7671050-B2 Triazolophthalazines NYCOMED GMBH (DE) 2010-03-02 US disclosed
US-20090005372-A1 Triazolophthalazines ALTANA PHARMA AG (DE) 2009-01-01 US disclosed
US-20080312225-A1 Triazolophthalazines NYCOMED GMBH (DE) 2008-12-18 US disclosed
US-20080280907-A1 Triazolophthalazines AALTANA PHARMA AG (DE) 2008-11-13 US disclosed
WO-2002081474-A1 TRIAZOLOPHTHALAZINE / QUINOLINE / ISOQUINOLINE DERIVATIVES WHICH ARE LIGANDS FOR GABA-A RECEPTORS CONTAINING THE ALPHA 5 SUBTYPE MERCK SHARP & DOHME LIMITED (GB) 2002-10-17 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 (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-20100286140-A1 TRIAZOLOPHTHALAZINES PDE2A, PDE12, PDE3A ALDH1A1 717/4885MAOA 386/4885PTGS1 134/4885
US-20080280907-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 ALDH1A1 920/4885MAOA 442/4885PTGS1 351/4885
US-20110136803-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 ALDH1A1 920/4885MAOA 442/4885PTGS1 351/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A ALDH1A1 717/4885MAOA 386/4885PTGS1 134/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 ALDH1A1 920/4885MAOA 442/4885PTGS1 351/4885

“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.