SCHEMBL6196239

SCHEMBL6196239

c1cncc(-c2csc(-c3cccnc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 1.00
AXL P30530 1/20 1.00
PBRM1 Q86U86 1/20 1.00
MKNK1 Q9BUB5 1/20 1.00
MKNK2 Q9HBH9 1/20 1.00
RAB9A P51151 3/20 0.87
KDM4E B2RXH2 3/20 0.87
NPC1 O15118 2/20 0.87
ALDH1A1 P00352 1/20 0.87
HPGDS O60760 1/20 0.72
MAPK1 P28482 2/20 0.71
HSD17B10 Q99714 1/20 0.71
GAA P10253 1/20 0.70
MAPT P10636 1/20 0.70
TDP1 Q9NUW8 1/20 0.70

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
SCHEMBL19051411 0.93 CYP19A1 (1.00) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6649362 0.93 CYP19A1 (0.87) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL30128572 0.93 CYP19A1 (1.00) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL7495850 0.93 RAB9A (1.00) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL17014786 0.93 CYP19A1 (1.00) CYP19A1AXLPBRM1MKNK1MKNK2
Hydrochloric Acid SCHEMBL11452940 0.91 RAB9A (0.97) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL11460926 0.90 RAB9A (0.94) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL11473901 0.87 RAB9A (0.77) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL8978641 0.87 CYP19A1 (0.89) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL27676399 0.87 RAB9A (0.77) CYP19A1AXLPBRM1MKNK1MKNK2

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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-08-12 US disclosed
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP 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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP1B1, CYP27A1 CYP19A1 11/4885AXL 4763/4885PBRM1 2191/4885

“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.