SCHEMBL18042102

SCHEMBL18042102

Nc1nc(-c2cccc(F)c2)c(-c2ccc3nccnc3c2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.62
MAPK14 Q16539 2/20 0.62
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 5/20 0.45
CYP3A4 P08684 2/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAP4K4 O95819 2/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL18041639 0.87 TGFBR1 (0.65) TGFBR1MAPK14ALDH1A1MAPTMEN1
SCHEMBL18057150 0.85 MAPK14 (0.69) TGFBR1MAPK14ALDH1A1MAPTMEN1
SCHEMBL18041746 0.85 TGFBR1 (0.69) TGFBR1MAPK14ALDH1A1MAPTMEN1
SCHEMBL18041776 0.84 TGFBR1 (0.61) TGFBR1MAPK14ALDH1A1MAPTMEN1
SCHEMBL18041837 0.82 DYRK1A (0.47) TGFBR1MAPK14ALDH1A1MAPTMEN1
SCHEMBL29677033 0.81 TGFBR1 (0.61) TGFBR1MAPK14ALDH1A1MAPTMEN1
SCHEMBL18041904 0.81 TGFBR1 (0.61) TGFBR1MAPK14ALDH1A1MAPTMEN1
SCHEMBL28182986 0.78 TGFBR1 (0.47) TGFBR1MAPK14MAPTMEN1KMT2A
SCHEMBL18041689 0.77 TGFBR1 (0.61) TGFBR1MAPK14ALDH1A1MAPTMEN1
SCHEMBL4035145 0.77 TGFBR1 (1.00) TGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287295-B2 TGF-β inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-05-14 US claimed
US-20180127426-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-05-10 US claimed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US claimed
EP-3265454-A1 TGF- INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2018-01-10 EP claimed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US claimed
US-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 US disclosed
US-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 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-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
US-20200031832-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2020-01-30 US disclosed
US-20200031832-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2020-01-30 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-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
EP-3265454-A1 TGF- INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2018-01-10 EP disclosed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US 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 (7 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-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2266/4885ALDH1A1 701/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2266/4885ALDH1A1 701/4885
US-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 TGFBR1 4193/4885MAPK14 3035/4885ALDH1A1 1908/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2266/4885ALDH1A1 701/4885
US-10287295-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2085/4885ALDH1A1 736/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 2266/4885ALDH1A1 701/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 TGFBR1 4193/4885MAPK14 3035/4885ALDH1A1 1908/4885

“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.