SCHEMBL18042097

SCHEMBL18042097

Clc1ccc(-c2nc[nH]c2-c2ccc3[nH]ncc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.55
▸ NOS1 P29475 2/20 0.54
▸ GSK3B P49841 8/20 0.49
▸ ROCK2 O75116 8/20 0.49
▸ AURKB Q96GD4 6/20 0.49
▸ PIM1 P11309 6/20 0.49
▸ KDR P35968 3/20 0.49
▸ TRPA1 O75762 2/20 0.48
▸ JAK2 O60674 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ DYRK1A Q13627 3/20 0.47
▸ CLK1 P49759 2/20 0.47
▸ CLK2 P49760 2/20 0.47
▸ CLK4 Q9HAZ1 2/20 0.47
▸ DYRK3 O43781 1/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ DYRK2 Q92630 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47

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
SCHEMBL18041950 0.88 GSK3B (0.63) TGFBR1GSK3BROCK2AURKBPIM1
SCHEMBL18041885 0.87 IDO1 (0.61) TGFBR1NOS1GSK3BROCK2AURKB
SCHEMBL18042111 0.86 TGFBR1 (0.58) TGFBR1GSK3BROCK2AURKBPIM1
SCHEMBL18041771 0.84 TGFBR1 (0.65) TGFBR1NOS1GSK3BROCK2AURKB
SCHEMBL18041560 0.81 TGFBR1 (0.83) TGFBR1GSK3BROCK2AURKBPIM1
SCHEMBL29676957 0.81 TGFBR1 (0.83) TGFBR1GSK3BROCK2AURKBPIM1
SCHEMBL18041799 0.80 TGFBR1 (0.57) TGFBR1GSK3BROCK2AURKBPIM1
SCHEMBL18041659 0.80 MAPK14 (0.57) TGFBR1GSK3BROCK2AURKBPIM1
SCHEMBL16740690 0.79 NOS1 (0.72) NOS1GSK3BROCK2AURKBPIM1
SCHEMBL4075858 0.77 KDM4E (0.64) TGFBR1IDO1

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 20 patents. 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
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
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-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-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-20180127426-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-05-10 — — 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
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 (5 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 1/4885NOS1 60/4885GSK3B 33/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885NOS1 60/4885GSK3B 33/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885NOS1 60/4885GSK3B 33/4885
US-10287295-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885NOS1 60/4885GSK3B 32/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885NOS1 60/4885GSK3B 33/4885

“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.

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