SCHEMBL6182328

SCHEMBL6182328

CC(C)n1nnc2ccc(-c3[nH]cnc3-c3ccc(F)cc3)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.62
CYP3A4 P08684 4/20 0.50
MAPK9 P45984 2/20 0.47
MAPK13 O15264 1/20 0.47
RAF1 P04049 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
FGFR1 P11362 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CSNK1G2 P78368 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
AURKB Q96GD4 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
BRD4 O60885 1/20 0.44

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
SCHEMBL6183296 0.91 MAPK14 (0.50) MAPK14CYP3A4KDM4EMAPTCCNT1
SCHEMBL6186437 0.89 MAPK14 (0.49) MAPK14CYP3A4MAPK9PRKD3MAP4K4
SCHEMBL6183436 0.88 MAPK14 (0.52) MAPK14CYP3A4MAPK9MAPK13RAF1
SCHEMBL6182621 0.88 MAPK9 (0.57) MAPK14CYP3A4MAPK9MAPK13RAF1
SCHEMBL6183193 0.87 TGFBR1 (0.51) MAPK14CYP3A4MAPK9PRKD3MAP4K4
SCHEMBL6185091 0.86 MAPK14 (0.50) MAPK14CYP3A4MAPK9MAPK13RAF1
SCHEMBL6185457 0.86 MAPK14 (0.47) MAPK14CYP3A4MAPK9PRKD3MAP4K4
SCHEMBL6183279 0.86 MAPK14 (0.47) MAPK14CYP3A4MAPK9PRKD3MAP4K4
SCHEMBL6183110 0.84 MAPK14 (0.55) MAPK14CYP3A4MAPK9MAPK13RAF1
SCHEMBL6182377 0.83 MAPK14 (0.46) MAPK14CYP3A4MAPK9PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1247810-B1 Novel benzotriazoles anti-inflammatory compounds PFIZER PROD INC (US) 2005-09-07 EP claimed
EP-1247810-A1 Novel benzotriazoles anti-inflammatory compounds Pfizer Products Inc. (US) 2002-10-09 EP claimed
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 27/4885CYP3A4 3334/4885MAPK9 160/4885
US-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885CYP3A4 3457/4885MAPK9 1058/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885CYP3A4 3457/4885MAPK9 1058/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885CYP3A4 3457/4885MAPK9 1058/4885
US-10287295-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2085/4885CYP3A4 3442/4885MAPK9 923/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885CYP3A4 3457/4885MAPK9 1058/4885

“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.