SCHEMBL18306335

SCHEMBL18306335

CS(=O)(=O)Nc1cnc(-c2cccc(C3CC3)c2)c(-c2ccc(N)c(C=N)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.38
▸ BTK Q06187 1/20 0.37
▸ FYN P06241 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ TYRO3 Q06418 2/20 0.36
▸ PIP4K2A P48426 2/20 0.35
▸ PIP4K2B P78356 2/20 0.35
▸ PTK2 Q05397 3/20 0.35
▸ CYP1A2 P05177 4/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CLK4 Q9HAZ1 4/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KIT P10721 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PIP4K2C Q8TBX8 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33

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
SCHEMBL17177311 0.86 BTK (0.41) BTKFYNTGFBR1ACVR1TYRO3
SCHEMBL18306301 0.86 DHODH (0.42) DHODHFYNTGFBR1KDM1AMAPK1
SCHEMBL17177314 0.84 DHODH (0.36) DHODH
SCHEMBL17177309 0.83 DHODH (0.33) DHODH
SCHEMBL19661652 0.81 DHODH (0.38) DHODHMAPK1
SCHEMBL17177325 0.80 ABL1 (0.36) BTKACVR1TYRO3PIP4K2APIP4K2B
SCHEMBL15639153 0.78 ROCK2 (0.42) DHODHBTKCLK4MAPK1
SCHEMBL18306347 0.74 ADORA2B (0.34) TGFBR1
SCHEMBL18306341 0.69 ADORA1 (0.42) FYNTGFBR1ACVR1KDM1ATYRO3
SCHEMBL18306360 0.69 IRAK4 (0.35) BTKACVR1KDM1ATYRO3PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 — — US disclosed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 — — US disclosed
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2019-03-19 — — US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 — — US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 — — US disclosed
US-9518040-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-12-13 — — US disclosed
US-9518040-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-12-13 — — 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 (4 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-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 DHODH 1945/4885BTK 912/4885FYN 1979/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 DHODH 4754/4885BTK 4470/4885FYN 3501/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 DHODH 2127/4885BTK 1078/4885FYN 1830/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 DHODH 2040/4885BTK 1139/4885FYN 1889/4885

“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.

Send feedback