SCHEMBL15720877

SCHEMBL15720877

CCOc1cc(F)ccc1-c1cc(Cl)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
CDK9 P50750 8/20 0.42
GSK3A P49840 1/20 0.42
IRAK1 P51617 1/20 0.42
CDK2 P24941 6/20 0.40
CCNT1 O60563 3/20 0.40
CCNK O75909 2/20 0.40
CDK1 P06493 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
AAK1 Q2M2I8 3/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
HASPIN Q8TF76 1/20 0.37
BRD4 O60885 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL15649934 0.85 CDK9 (0.48) KCNQ3KCNQ2CDK9GSK3AIRAK1
SCHEMBL30777928 0.85 CDK9 (0.48) KCNQ3KCNQ2CDK9GSK3AIRAK1
SCHEMBL23520267 0.83 CDK9 (0.47) CDK9GSK3AIRAK1CDK2CCNT1
SCHEMBL14785464 0.78 CDK2 (0.50) CDK9CDK2CCNT1CCNE1
SCHEMBL24770654 0.78 CDK9 (0.47) CDK9GSK3AIRAK1CDK2CCNT1
SCHEMBL15486181 0.77 EGFR (0.38) CDK9CCNT1GRIN1GRIN2BHRH4
SCHEMBL15682390 0.77 F2RL1 (0.40) CDK9GSK3AIRAK1CDK2CCNT1
SCHEMBL23520268 0.77 CDK9 (0.50) CDK9GSK3AIRAK1CDK2CCNT1
SCHEMBL21045724 0.76 KCNQ3 (0.44) KCNQ3KCNQ2AAK1L3MBTL1
SCHEMBL18416745 0.75 HSP90AA1 (0.46) KCNQ3KCNQ2

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 17 patents. 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-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-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-9650340-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfoximine group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-16 US disclosed
US-9650340-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfoximine group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-16 US disclosed
US-9650340-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfoximine group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-16 US disclosed
EP-2928878-B1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP Bayer Pharma AG (DE) 2016-11-02 EP disclosed
EP-2928878-B1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP Bayer Pharma AG (DE) 2016-11-02 EP disclosed
US-20150291528-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIEGESELLSCHAFT (DE) 2015-10-15 US disclosed
US-20150291528-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIEGESELLSCHAFT (DE) 2015-10-15 US disclosed
US-20150291528-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIEGESELLSCHAFT (DE) 2015-10-15 US disclosed
EP-2928878-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP Bayer Pharma Aktiengesellschaft (DE) 2015-10-14 EP disclosed
WO-2014076091-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-22 WO disclosed
WO-2014076091-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-22 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 (2 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 KCNQ3 3115/4885KCNQ2 2306/4885CDK9 824/4885
US-20150291528-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP PNPO, PLPBP, PDXK KCNQ3 3115/4885KCNQ2 2306/4885CDK9 824/4885

“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.