Sugi Predict

Sugi Predict / Compounds / SCHEMBL6408064

SCHEMBL6408064

SCHEMBL6408064

NC(=O)Cc1ncc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGBL2 Q5U5Z8 2/20 0.49
▸ ADORA2A P29274 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ASPH Q12797 1/20 0.34
▸ KDM8 Q8N371 1/20 0.34
▸ HTR5A P47898 2/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL4530478 0.83 AGBL2 (0.69) AGBL2ADORA2AKDM4EASPHKDM8
SCHEMBL29781576 0.83 AGBL2 (0.69) AGBL2ADORA2AKDM4EASPHKDM8
SCHEMBL29622783 0.82 DGAT1 (0.40) AGBL2HTTKDM4EASPHKDM8
SCHEMBL3654612 0.82 DGAT1 (0.40) AGBL2HTTKDM4EASPHKDM8
SCHEMBL29329085 0.81 AGBL2 (0.53) AGBL2ADORA2AHTTKDM4EASPH
SCHEMBL21801325 0.77 AGBL2 (0.49) AGBL2ADORA2AKDM4ESSTR4SYK
SCHEMBL10132043 0.75 AGBL2 (0.50) AGBL2KDM4EDPP4MAOBCA2
SCHEMBL357848 0.74 AGBL2 (0.39) AGBL2ADORA2ADPP4
SCHEMBL29941432 0.74 AGBL2 (0.43) AGBL2ADORA2ADPP4SYKMAPK1
SCHEMBL134813 0.74 AGBL2 (0.43) AGBL2ADORA2ADPP4SYKMAPK1

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-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 — — US disclosed
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-14 — — US disclosed
US-6828338-B2 Protease inhibitor; anticoagulant PHARMACIA CORPORATION 2004-12-07 — — US disclosed
US-20040068113-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-08 — — US disclosed
US-20040002494-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-01-01 — — US disclosed
EP-1351686-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-10-15 — — EP disclosed
US-6624180-B2 Such as 2-(2-(N-((4-aminoiminomethylphenyl)methyl)-3-(3-aminophenyl)-6-(N,N -dimethylhydrazino)-1-oxypyridinyl))acetami de which inhibit serine proteases for preventing and treating thrombotis PHARMACIA CORPORATION 2003-09-23 — — US disclosed
US-20030139401-A9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION 2003-07-24 — — US disclosed
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-12-26 — — US disclosed
WO-2002042272-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2002-05-30 — — 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 (6 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-20040068113-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT AGBL2 187/4885ADORA2A 2645/4885HTT 3277/4885
US-20040002494-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT AGBL2 187/4885ADORA2A 2645/4885HTT 3277/4885
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK AGBL2 2260/4885ADORA2A 2412/4885HTT 3196/4885
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT AGBL2 187/4885ADORA2A 2645/4885HTT 3277/4885
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT AGBL2 187/4885ADORA2A 2645/4885HTT 3277/4885
US-20030139401-A9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE TFPI, F2, PLAT AGBL2 187/4885ADORA2A 2645/4885HTT 3277/4885

“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.