SCHEMBL2731383

SCHEMBL2731383

O=C(O)c1cn2cc(C(F)(F)F)ncc2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
TGFBR1 P36897 2/20 0.39
ASPH Q12797 1/20 0.37
KDM4E B2RXH2 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NAPRT Q6XQN6 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PIK3CA P42336 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
P2RX7 Q99572 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL30828884 0.86 TGFBR1 (0.51) TGFBR1PIK3CAP2RX7TSHR
SCHEMBL30845788 0.85 GLS (0.37) TGFBR1KDM4EPIK3CAP2RX7
SCHEMBL2730806 0.79 KDM4E (0.54) KDM4ERXFP1
SCHEMBL10272003 0.77 PTGS2 (0.53) PTGS1PTGS2
SCHEMBL17169821 0.77 PIK3CA (0.37) PTGS2TGFBR1PIK3CAP2RX7HDAC4
SCHEMBL21033324 0.77 PTGS1 (0.49) PTGS1PTGS2TGFBR1KDM4ERXFP1
SCHEMBL29019469 0.76 PTGS1 (0.47) PTGS1PTGS2KDM4ERXFP1NAPRT
SCHEMBL18506076 0.73 MCHR1 (0.37) PTGS1PTGS2TGFBR1
SCHEMBL12778716 0.73 SCN5A (0.35) TGFBR1
SCHEMBL20705103 0.73 PTGS1 (0.53) PTGS1PTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC 2021-12-02 US disclosed
US-20210163485-A1 Heterocyclic Compounds for the Treatment of Disease OPPILAN PHARMA LTD (GB) 2021-06-03 US disclosed
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 WO disclosed
US-9023850-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-05-05 US disclosed
EP-2629614-B1 NEMATOCIDAL SULFONAMIDES DU PONT (US) 2014-09-17 EP disclosed
EP-2629614-A1 NEMATOCIDAL SULFONAMIDES E.I. Du Pont De Nemours And Company (US) 2013-08-28 EP disclosed
US-20130190172-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-07-25 US disclosed
WO-2012054233-A1 NEMATOCIDAL SULFONAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-26 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 (3 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-20130190172-A1 NEMATOCIDAL SULFONAMIDES QSOX1, ARSA, NOX1 PTGS1 304/4885PTGS2 995/4885TGFBR1 1623/4885
US-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 PTGS1 2236/4885PTGS2 3251/4885TGFBR1 1740/4885
US-20210163485-A1 Heterocyclic Compounds for the Treatment of Disease VHL, FH, TPMT PTGS1 1877/4885PTGS2 1607/4885TGFBR1 4585/4885

“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.