SCHEMBL2777608

SCHEMBL2777608

NNc1ccc2c(N)ncnc2c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.50
PI4K2B Q8TCG2 2/20 0.50
PI4K2A Q9BTU6 2/20 0.50
PI4KB Q9UBF8 2/20 0.50
MAP4K4 O95819 13/20 0.42
EGFR P00533 4/20 0.41
IP6K1 Q92551 1/20 0.41

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
SCHEMBL7897327 0.77 MAP4K4 (0.62) PI4K2AMAP4K4EGFR
SCHEMBL29663392 0.76 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL6096033 0.76 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL27758587 0.75 ADORA2A (0.57) MAP4K4EGFR
SCHEMBL12545778 0.74 MAP4K4 (0.49) PI4K2AMAP4K4EGFR
SCHEMBL10971103 0.74 MAP4K4 (0.65) PI4K2AMAP4K4EGFR
SCHEMBL6442231 0.73 NR4A2 (0.56) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL7376295 0.73 MAP4K4 (0.54) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL16755291 0.73 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL4431055 0.73 MAP4K4 (0.54) PI4KAPI4K2BPI4K2API4KBMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 US claimed
US-9737509-B1 Antimicrobial compositions, methods of use, and methods of treatment of infections UNIVERSITY OF SOUTH FLORIDA (US) 2017-08-22 US disclosed
WO-2016191412-A1 ANTIMICROBIAL COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT OF INFECTIONS UNIVERSITY OF SOUTH FLORIDA (US) 2016-12-01 WO disclosed
US-7678803-B2 Heat Shock Protein-90 inhibitors; Antiproliferative agents; cancer, inflammation, arthritis, angiogenesis, viral, fungal and malaria infections; 1-(isoquinoline, quinazoline or pyrimidino(3,2-d)pyridine-substituted)-4,5,6,7-tetrahydroindol-4-ones or 4,5,6,7-pyrazol-4-ones SERENEX, INC. (US) 2010-03-16 US disclosed
US-7678803-B2 Heat Shock Protein-90 inhibitors; Antiproliferative agents; cancer, inflammation, arthritis, angiogenesis, viral, fungal and malaria infections; 1-(isoquinoline, quinazoline or pyrimidino(3,2-d)pyridine-substituted)-4,5,6,7-tetrahydroindol-4-ones or 4,5,6,7-pyrazol-4-ones SERENEX, INC. (US) 2010-03-16 US disclosed
US-7678803-B2 Heat Shock Protein-90 inhibitors; Antiproliferative agents; cancer, inflammation, arthritis, angiogenesis, viral, fungal and malaria infections; 1-(isoquinoline, quinazoline or pyrimidino(3,2-d)pyridine-substituted)-4,5,6,7-tetrahydroindol-4-ones or 4,5,6,7-pyrazol-4-ones SERENEX, INC. (US) 2010-03-16 US disclosed
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 US disclosed
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 US disclosed
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 US disclosed
WO-2008024977-A2 ISOQUINOLINE, QUINAZOLINE AND PHTHALAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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 (1 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-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives H1-5, NDUFS5, IL5 PI4KA 2665/4885PI4K2B 3000/4885PI4K2A 2821/4885

“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.