SCHEMBL6182979

SCHEMBL6182979

CCn1nnc2ccc(-c3[nH]cnc3-c3cccc(C)c3)cc21

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.62
IDO1 P14902 6/20 0.52
SLC9A1 P19634 1/20 0.40
CYP3A4 P08684 1/20 0.40
TGFBR1 P36897 1/20 0.38

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
SCHEMBL6182973 0.85 MAPK14 (0.64) MAPK14IDO1CYP3A4TGFBR1
SCHEMBL6184592 0.83 MAPK14 (0.55) MAPK14SLC9A1CYP3A4TGFBR1
SCHEMBL6184053 0.78 MAPK14 (0.62) MAPK14SLC9A1TGFBR1
SCHEMBL18041848 0.77 MAPK14 (0.65) MAPK14IDO1CYP3A4TGFBR1
SCHEMBL29676929 0.77 MAPK14 (0.65) MAPK14IDO1CYP3A4TGFBR1
SCHEMBL5836243 0.77 MAPK14 (1.00) MAPK14IDO1
SCHEMBL5837210 0.77 MAPK14 (1.00) MAPK14IDO1
SCHEMBL18042001 0.75 MAPK14 (0.67) MAPK14IDO1CYP3A4TGFBR1
SCHEMBL18041508 0.74 MAPK14 (0.86) MAPK14IDO1
SCHEMBL18041509 0.74 MAPK14 (0.72) MAPK14IDO1

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 27/4885IDO1 231/4885SLC9A1 1389/4885
US-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885IDO1 295/4885SLC9A1 1268/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885IDO1 295/4885SLC9A1 1268/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885IDO1 295/4885SLC9A1 1268/4885
US-10287295-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2085/4885IDO1 305/4885SLC9A1 1242/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 MAPK14 2266/4885IDO1 295/4885SLC9A1 1268/4885

“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.