SCHEMBL508261

SCHEMBL508261

O=Cc1cnc(-c2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.42
▸ SCN10A Q9Y5Y9 8/20 0.41
▸ SCN5A Q14524 5/20 0.40
▸ SCN1A P35498 2/20 0.40
▸ SCN9A Q15858 2/20 0.40
▸ SCN2A Q99250 2/20 0.40
▸ SCN8A Q9UQD0 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ TPX2 Q9ULW0 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ NISCH Q9Y2I1 1/20 0.39

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
SCHEMBL1230586 0.89 DRD1 (0.44) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL1229166 0.89 DRD1 (0.44) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL1549193 0.81 ALDH1A1 (0.43) KCNH2SCN10ASCN5ASCN2AALDH1A1
SCHEMBL505301 0.79 DRD1 (0.56) SCN5ACA12CA9NOTUMAURKA
SCHEMBL9062115 0.79 RXRA (0.48) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL12614281 0.79 VNN1 (0.52) SCN10AADORA3AURKATPX2L3MBTL1
SCHEMBL508451 0.78 SCN10A (0.47) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL3542039 0.78 KIF11 (0.42) SCN2AALDH1A1L3MBTL1KIF11
SCHEMBL1228649 0.78 AURKA (0.49) KCNH2SCN10ASCN5ASCN1ASCN9A
SCHEMBL19514109 0.77 SCN10A (0.47) KCNH2SCN10ASCN5ASCN1ASCN9A

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-10155756-B2 Pyrazolo[1,5-A]pyridine compounds and use thereof GUANGZHOU EGGBIO CO., LTD. (CN) 2018-12-18 — — US disclosed
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF GUANGDONG GOOD MEDICINE AND HEALTH TECHNOLOGY CO., LTD (CN) 2017-11-02 — — US disclosed
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF GUANGDONG GOOD MEDICINE AND HEALTH TECHNOLOGY CO., LTD (CN) 2017-11-02 — — US disclosed
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF GUANGDONG GOOD MEDICINE AND HEALTH TECHNOLOGY CO., LTD (CN) 2017-11-02 — — US disclosed
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 — — US disclosed
US-9169216-B2 Method for preparation of 5-substituted pyrimidines REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-10-27 — — US disclosed
US-20140121375-A1 METHOD FOR PREPARATION OF 5-SUBSTITUTED PYRIMIDINES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-05-01 — — US disclosed
CN-102753558-A Nitroimidazooxazines and their use in antitubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEV 2012-10-24 — — CN disclosed
WO-2012128965-A2 METHOD FOR PREPARATION OF 5-SUBSTITUTED PYRIMIDINES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-09-27 — — WO disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 — — US 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-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF ABCG2, ABCC1, PNPO KCNH2 2839/4885SCN10A 3962/4885SCN5A 2021/4885
US-10155756-B2 Pyrazolo[1,5-A]pyridine compounds and use thereof ABCG2, ABCC1, PNPO KCNH2 2839/4885SCN10A 3962/4885SCN5A 2021/4885
US-20140121375-A1 METHOD FOR PREPARATION OF 5-SUBSTITUTED PYRIMIDINES DPYD, TYMP, DUT KCNH2 3169/4885SCN10A 4810/4885SCN5A 901/4885
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 KCNH2 3157/4885SCN10A 4460/4885SCN5A 2134/4885

“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.

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