SCHEMBL20575652

SCHEMBL20575652

COc1ccc(N2C=C3CCCN3C2c2ccc3ncnn3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
CHRM5 P08912 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SCN5A Q14524 1/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
EGLN2 Q96KS0 1/20 0.30
TGFBR1 P36897 1/20 0.30
MITF O75030 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20575359 0.85 CHRM5 (0.31) CHRM5
SCHEMBL20575351 0.81 CHRM5 (0.36) CHRM5DPP4DPP8DPP9
SCHEMBL20575402 0.81 CHRM5 (0.33) CHRM5DPP4DPP8DPP9TGFBR1
SCHEMBL20574818 0.81 SLC6A2 (0.32) CHRM5DPP4DPP8DPP9
SCHEMBL20575640 0.80 SLC6A2 (0.37) CHRM5
SCHEMBL20575352 0.79 CHRM5 (0.33) CHRM5DPP4DPP8DPP9TGFBR1
SCHEMBL20575459 0.78 SLC6A2 (0.33) CHRM5DPP4DPP8DPP9
SCHEMBL20574748 0.78 CHRM5 (0.35) CHRM5DPP4DPP8DPP9
SCHEMBL20575579 0.76 RAB9A (0.40) KMT2AGAARAB9ASMN1; SMN2NPC1
SCHEMBL20575512 0.76 CHRM5 (0.31) CHRM5DPP4DPP8DPP9TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-12-06 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 (2 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-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 WDR5 3027/4885KMT2A 1570/4885GAA 1667/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 WDR5 3027/4885KMT2A 1570/4885GAA 1667/4885

“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.