SCHEMBL18306358

SCHEMBL18306358

CNc1ccc(-c2cccnc2-c2ccc(F)c(C)c2)cc1C=N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.42
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ KMO O15229 1/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ FLT1 P17948 1/20 0.36

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
SCHEMBL17177376 0.91 TGFBR1 (0.44) TGFBR1KMOCLK4AURKADAPK3
SCHEMBL18306371 0.89 TGFBR1 (0.40) TGFBR1KMOCLK4AURKADAPK3
SCHEMBL19654959 0.88 TGFBR1 (0.40) TGFBR1CLK4MAP4K4CSF1RFLT1
SCHEMBL21317812 0.83 TGFBR1 (0.36) TGFBR1KMOCLK4AURKADAPK3
SCHEMBL17177362 0.82 TGFBR1 (0.43) TGFBR1KMODYRK1AFEN1GLO1
SCHEMBL21317770 0.79 TGFBR1 (0.39) TGFBR1KMOCLK4AURKADAPK3
SCHEMBL19817527 0.79 KMT2A (0.44) TGFBR1KMOMEN1NPC1RAB9A
SCHEMBL18306375 0.77 TGFBR1 (0.38) TGFBR1KMOCLK4AURKADAPK3
SCHEMBL24716162 0.77 TGFBR1 (0.39) TGFBR1KMOFEN1GLO1
SCHEMBL15638935 0.76 TGFBR1 (0.67) TGFBR1KMOCLK4AURKADAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 TGFBR1 1/4885BRD4 609/4885CREBBP 2250/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 TGFBR1 128/4885BRD4 3401/4885CREBBP 1345/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 TGFBR1 3/4885BRD4 518/4885CREBBP 1628/4885

“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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