SCHEMBL17767446

SCHEMBL17767446

Brc1c(-c2ccccn2)nc2n1CCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.61
RAB9A P51151 2/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 3/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 2/20 0.39
USP2 O75604 1/20 0.39
BCHE P06276 1/20 0.39
CFTR P13569 1/20 0.39
ALOX15 P16050 1/20 0.39
ACHE P22303 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
GOPC Q9HD26 1/20 0.39

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
SCHEMBL991856 0.78 NPC1 (0.65) TGFBR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL29156790 0.78 NPC1 (0.51) TGFBR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL29724052 0.78 TGFBR1 (0.56) TGFBR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL29724053 0.77 TGFBR1 (0.58) TGFBR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL29724048 0.77 TGFBR1 (0.57) TGFBR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7784464 0.76 TGFBR1 (1.00) TGFBR1ALDH1A1KMT2AMEN1THRB
SCHEMBL15733342 0.74 NPC1 (0.63) TGFBR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4839190 0.74 NPC1 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL373378 0.73 TGFBR1 (1.00) TGFBR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7786549 0.73 TGFBR1 (1.00) TGFBR1RAB9ANPC1SMN1; SMN2ALDH1A1

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
CN-107207531-B Fused imidazole derivatives as TGF-beta inhibitors 里格尔药品股份有限公司 2021-05-25 CN disclosed
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
EP-3221318-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2017-09-27 EP disclosed
WO-2016081364-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2016-05-26 WO disclosed
WO-2016081364-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2016-05-26 WO 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 TGFBR1 1/4885RAB9A 1984/4885NPC1 2316/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885RAB9A 1984/4885NPC1 2316/4885

“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.