SCHEMBL6184592

SCHEMBL6184592

CCn1nnc2ccc(-c3[nH]cnc3-c3ccc(F)cc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.55
MAPK13 O15264 1/20 0.47
RAF1 P04049 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
CYP3A4 P08684 2/20 0.45
BRD4 O60885 1/20 0.44
TNIK Q9UKE5 1/20 0.40
SLC9A1 P19634 1/20 0.40
TGFBR1 P36897 3/20 0.38
TGFBR2 P37173 1/20 0.38
TDO2 P48775 2/20 0.38
NR3C2 P08235 1/20 0.37
MAPK10 P53779 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
SCHEMBL6183110 0.84 MAPK14 (0.55) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL6182979 0.83 MAPK14 (0.62) MAPK14CYP3A4SLC9A1TGFBR1
SCHEMBL6182328 0.81 MAPK14 (0.62) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL6184801 0.78 MAPK14 (0.46) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL6186897 0.77 MAPK14 (0.69) MAPK14
SCHEMBL18041485 0.76 MAPK14 (0.59) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL29676991 0.76 MAPK14 (0.59) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL18041762 0.75 MAPK14 (0.91) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL19848373 0.75 SLC9A1 (0.58) SLC9A1TDO2
SCHEMBL6185041 0.75 MAPK14 (0.40) MAPK14CYP3A4TGFBR1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 US disclosed
CN-107406412-B TGF-beta inhibitors 里格尔药品股份有限公司 2021-07-16 CN disclosed
US-20200031832-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2020-01-30 US disclosed
US-10287295-B2 TGF-β inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
US-20180127426-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-05-10 US disclosed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
EP-1247810-B1 Novel benzotriazoles anti-inflammatory compounds PFIZER PROD INC (US) 2005-09-07 EP disclosed
US-6664395-B2 Benzotriazole compoundsn are the potent inhibitors of MAP kinases, preferably p38 kinase. They are useful for treating inflammation, osteoarthritis, rheumatoid arthritis, cancer, reperfusion, ischemia PFIZER INC 2003-12-16 US disclosed
US-20030078432-A1 Novel benzotriazoles anti-inflammatory compounds PFIZER INC. 2003-04-24 US disclosed
EP-1247810-A1 Novel benzotriazoles anti-inflammatory compounds Pfizer Products Inc. (US) 2002-10-09 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 (6 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-20030078432-A1 Novel benzotriazoles anti-inflammatory compounds MAPK1, JAK1, RUNX1 MAPK14 27/4885MAPK13 48/4885RAF1 284/4885
US-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885MAPK13 1857/4885RAF1 507/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885MAPK13 1857/4885RAF1 507/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885MAPK13 1857/4885RAF1 507/4885
US-10287295-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2085/4885MAPK13 1693/4885RAF1 518/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885MAPK13 1857/4885RAF1 507/4885

“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.