SCHEMBL501367

SCHEMBL501367

OCc1cc(F)nc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP6 P55212 1/20 0.33
HSD17B10 Q99714 1/20 0.31
KIF11 P52732 1/20 0.31
SYK P43405 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL10264324 0.84 ACHE (0.36) ACHECYP4F2CYP4A11CHRNB4CHRNA3
SCHEMBL501219 0.79 MAPT (0.37) ACHECYP4F2CYP4A11TSHRLOXL2
SCHEMBL2859975 0.78 LOXL2 (0.33) LOXL2LMNAGAAL3MBTL1
SCHEMBL501688 0.74 TSHR (0.43) TSHRLMNAGAAL3MBTL1
SCHEMBL9971004 0.72 PTGS2 (0.36) LOXL2LMNAGAAL3MBTL1
SCHEMBL501885 0.72 TRPA1 (0.33) TSHRLOXL2LMNAGAAL3MBTL1
SCHEMBL22972375 0.72 LOXL2 (0.54) LOXL2
SCHEMBL63159 0.71 ACHE (0.62) ACHECYP4F2CYP4A11RECQLTSHR
SCHEMBL501550 0.71 NUDT1 (0.43) CYP4F2CYP4A11TSHRKDM4ELMNA
SCHEMBL16959483 0.71 CYP4F2 (0.52) ACHECYP4F2CYP4A11CHRNB4CHRNA3

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9877954-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfoximine group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-30 US disclosed
US-9877954-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfoximine group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-30 US disclosed
US-9877954-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfoximine group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-30 US disclosed
US-9856242-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCAFT (DE) 2018-01-02 US disclosed
US-9856242-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCAFT (DE) 2018-01-02 US disclosed
US-9770445-B2 Sulfoximine substituted 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives and their use as CDK9 kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-26 US disclosed
US-9770445-B2 Sulfoximine substituted 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives and their use as CDK9 kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-26 US disclosed
US-9770445-B2 Sulfoximine substituted 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives and their use as CDK9 kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-26 US disclosed
US-20170202815-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-20 US disclosed
US-20170202815-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-20 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
CN-101495461-A Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES INC (US) 2009-07-29 CN disclosed
EP-2044037-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 WO disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 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-20170202815-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP PNPO, PLPBP, PDXK ACHE 3107/4885CYP4F2 46/4885CYP4A11 576/4885
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H ACHE 3406/4885CYP4F2 2963/4885CYP4A11 1464/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H ACHE 3370/4885CYP4F2 2963/4885CYP4A11 1442/4885

“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.