SCHEMBL20575623

SCHEMBL20575623

COc1ccc(N2C=C3CCCN3C2c2ccc3ncccc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CHRNA7 P36544 1/20 0.38
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN9A Q15858 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
SCHEMBL20575579 0.88 RAB9A (0.40) L3MBTL1RAB9ANPC1CYP3A4KMT2A
SCHEMBL20575600 0.83 CHRNA7 (0.37) RAB9ANPC1CHRNA7SLC6A2SLC6A4
SCHEMBL20575554 0.80 NPC1 (0.38) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL20575568 0.77 POLB (0.34) CHRNA7SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL20575595 0.77 HDAC4 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL20575593 0.77 IDO1 (0.38) RAB9ANPC1CHRNA7SLC6A2SLC6A4
SCHEMBL20574823 0.75 LMNA (0.35) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL20576465 0.75 POLB (0.35) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL20575631 0.74 FLT3 (0.36) KMT2AMAPTMEN1ALDH1A1ATM
SCHEMBL20575652 0.73 WDR5 (0.34) L3MBTL1RAB9ANPC1KMT2AMAPT

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 CCKAR 1169/4885L3MBTL1 1814/4885RAB9A 1984/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 CCKAR 1169/4885L3MBTL1 1814/4885RAB9A 1984/4885

“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.