SCHEMBL18042052

SCHEMBL18042052

Cc1cc(-c2c[nH]cn2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAPK3 O43293 2/20 0.46
▸ NTRK1 P04629 2/20 0.46
▸ PIM1 P11309 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.46
▸ AURKA O14965 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PAK4 O96013 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ RET P07949 1/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ MET P08581 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ LTK P29376 1/20 0.46

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
SCHEMBL17853473 0.84 NPC1 (0.45) MEN1NPC1RAB9AKMT2AKMO
SCHEMBL28043951 0.79 ALDH1A1 (0.53) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL2063725 0.79 KMO (0.47) KMO
SCHEMBL16433245 0.79 KDM1A (0.47) KDRMEN1NPC1RAB9AKMT2A
SCHEMBL18041747 0.77 DAPK3 (0.43) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL16416060 0.77 MAPT (0.49) GSK3BGSK3ADYRK1AMEN1NPC1
SCHEMBL2063712 0.77 MPL (0.50) KMOGRIN2BTRPV3
SCHEMBL15942251 0.76 NTRK1 (0.43) NTRK1FLT3JAK2JAK3NPC1
SCHEMBL16432554 0.76 ALDH1A1 (0.51) MEN1NPC1RAB9AKMT2APTGS2
SCHEMBL5478060 0.74 METAP2 (0.44) MEN1NPC1RAB9AKMT2A

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 8 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
EP-3265454-B1 TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2020-02-26 — — EP 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

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 DAPK3 1552/4885NTRK1 532/4885PIM1 1264/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 DAPK3 1552/4885NTRK1 532/4885PIM1 1264/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 DAPK3 1552/4885NTRK1 532/4885PIM1 1264/4885
US-10287295-B2 TGF-β inhibitors TGFBR1, TGFBR2, TGFB1 DAPK3 1366/4885NTRK1 517/4885PIM1 1174/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 DAPK3 1552/4885NTRK1 532/4885PIM1 1264/4885

“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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