SCHEMBL2778073

SCHEMBL2778073

Nc1ncnc2cc(F)cc(F)c12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 15/20 0.45
PI4KA P42356 2/20 0.35
PI4K2B Q8TCG2 2/20 0.35
PI4K2A Q9BTU6 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
HPGD P15428 2/20 0.35
PTK2B Q14289 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PPARG P37231 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CYP17A1 P05093 1/20 0.34

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
SCHEMBL29728027 1.00 MAP4K4 (0.45) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL25238079 0.81 MAP4K4 (0.38) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL31727773 0.77 PDE5A (0.41) MAP4K4PI4KB
SCHEMBL13633973 0.76 MKNK1 (0.35) MAP4K4
SCHEMBL3521904 0.76 ALDH1A1 (0.36) MAP4K4KDM4E
SCHEMBL24188641 0.76 MAP4K4 (0.34) MAP4K4
SCHEMBL30836076 0.76 ALDH1A1 (0.36) MAP4K4KDM4E
SCHEMBL2124702 0.72 PI4KA (0.48) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL439299 0.68 BCHE (0.34)
SCHEMBL437520 0.68 AAK1 (0.34)

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 14 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-11311520-B2 Substituted dihydroimidazopyridinediones as MKNK1 and MKNK2 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-04-26 US disclosed
US-20210085656-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-03-25 US disclosed
US-20190350910-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-11-21 US disclosed
WO-2018134148-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-26 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
EP-2069325-A2 ISOQUINOLINE, QUINAZOLINE AND PHTHALAZINE DERIVATIVES Serenex, Inc. (US) 2009-06-17 EP 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
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 (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-20190350910-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS MKNK1, MKNK2, MAP4K5 MAP4K4 9/4885PI4KA 152/4885PI4K2B 176/4885
US-20210085656-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS MKNK1, MKNK2, MAP4K5 MAP4K4 9/4885PI4KA 151/4885PI4K2B 171/4885
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives H1-5, NDUFS5, IL5 MAP4K4 1783/4885PI4KA 2665/4885PI4K2B 3000/4885
US-11311520-B2 Substituted dihydroimidazopyridinediones as MKNK1 and MKNK2 inhibitors MKNK1, MKNK2, MAP4K5 MAP4K4 9/4885PI4KA 151/4885PI4K2B 171/4885

“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.