SCHEMBL20575602

SCHEMBL20575602

Clc1cccc(N2C=C3CCCN3C2c2ccc3nccnc3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX5 P09917 1/20 0.34
ABL1 P00519 3/20 0.34
RIN1 Q13671 3/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TGFBR1 P36897 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 2/20 0.32
GRM5 P41594 1/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL20575659 0.87 ALOX5 (0.34) ALOX5TGFBR1HPGDTSHR
SCHEMBL20575554 0.85 NPC1 (0.38) NPC1POLBRAB9AKMT2AALDH1A1
SCHEMBL20575162 0.84 NPC1 (0.38) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL20575631 0.81 FLT3 (0.36) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL20575511 0.81 HPGD (0.32) MEN1KMT2AGAAHPGD
SCHEMBL20575642 0.81 MEN1 (0.33) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL20575579 0.79 RAB9A (0.40) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL20576426 0.79 ECE2 (0.31) HPGD
SCHEMBL20575355 0.77 KDM4E (0.33) KMT2AALDH1A1GAAHPGD
SCHEMBL20575502 0.75 HPGD (0.31) MEN1KMT2AGAAHPGD

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 MEN1 1968/4885NPC1 2316/4885POLB 2233/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 MEN1 1968/4885NPC1 2316/4885POLB 2233/4885

“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.