SCHEMBL21363871

SCHEMBL21363871

Clc1cccc(-c2ncccc2-c2cn3ncnc3cc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.43
RORB Q92753 1/20 0.42
MAP4K4 O95819 1/20 0.39
JAK2 O60674 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 1/20 0.37
KCNA5 P22460 3/20 0.37
PTGER1 P34995 1/20 0.36
KCNN4 O15554 1/20 0.35
TDO2 P48775 1/20 0.34
TGFBR1 P36897 2/20 0.34
BACE1 P56817 1/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL15639472 0.88 EGLN2 (0.41) EGLN2RORBMAP4K4JAK2NPC1
SCHEMBL21363870 0.86 TGFBR1 (0.40) EGLN2KDRTGFBR1
SCHEMBL15639999 0.84 TGFBR1 (0.46) EGLN2RORBMAP4K4JAK2NPC1
SCHEMBL21363867 0.83 KMO (0.39) EGLN2MAP4K4JAK2KDRTGFBR1
SCHEMBL21363868 0.82 EGLN2 (0.39) EGLN2MAP4K4KDRTGFBR1
SCHEMBL15640085 0.82 EGLN2 (0.44) EGLN2RORBMAP4K4JAK2NPC1
SCHEMBL15638698 0.81 RORB (0.43) RORBJAK2KCNA5PTGER1KCNN4
SCHEMBL15638088 0.77 TGFBR1 (0.40) KDRTGFBR1PDE4APDE4BPDE4C
SCHEMBL15638994 0.75 EGLN2 (0.51) EGLN2RORBJAK2KCNA5PTGER1
SCHEMBL15639882 0.74 KDR (0.43) EGLN2RORBMAP4K4JAK2RAB9A

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 EGLN2 657/4885RORB 786/4885MAP4K4 945/4885

“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.