SCHEMBL5560772

SCHEMBL5560772

COC(=O)c1cc(N)c2cc(C#N)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.42
NQO2 P16083 3/20 0.41
MMP13 P45452 1/20 0.41
PIN1 Q13526 1/20 0.40
DYRK1A Q13627 1/20 0.40
TERT O14746 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
GNG2 P59768 1/20 0.39
GNB1 P62873 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
GRM2 Q14416 1/20 0.39
SCN9A Q15858 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL5566519 0.85 CYP11B2 (0.43) CYP11B2MMP13PIN1DYRK1AGRM2
SCHEMBL5565734 0.85 PIN1 (0.48) CYP11B2PIN1DYRK1ATERTMEN1
SCHEMBL5989830 0.82 NQO2 (0.47) NQO2KDM4EALDH1A1MEN1MMP1
SCHEMBL1315731 0.77 KDM4E (0.52) NQO2KDM4EALDH1A1MEN1ALOX15
SCHEMBL2907684 0.77 HSD17B14 (0.43) CYP11B2DYRK1AGRM2SCN9A
SCHEMBL5776609 0.76 PLAU (0.46) CYP11B2KDM4EALDH1A1MEN1ALOX15
SCHEMBL5990759 0.75 ALDH1A1 (0.58) NQO2ALDH1A1MEN1ALOX15KMT2A
SCHEMBL15131951 0.73 NCEH1 (0.42) CYP11B2MMP13PIN1DYRK1AKDM4E
SCHEMBL6080353 0.73 NQO2 (0.41) NQO2KDM4EALDH1A1HPGDMAPT
SCHEMBL16401883 0.72 PLA2G2A (0.48) CYP11B2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 US disclosed
WO-2004103270-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES LLC (US) 2004-12-02 WO disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 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-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B CYP11B2 2296/4885NQO2 1921/4885MMP13 85/4885

“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.