SCHEMBL373378

SCHEMBL373378

c1ccc(-c2nc3n(c2-c2ccc4c(c2)OCO4)CCC3)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 1.00
RAB9A P51151 6/20 0.50
MAPT P10636 5/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 3/20 0.50
POLB P06746 2/20 0.50
PKM P14618 2/20 0.50
ESR2 Q92731 1/20 0.50
WDR5 P61964 1/20 0.49
ACVR1B P36896 2/20 0.46
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL17767754 0.81 TGFBR1 (0.69) TGFBR1MAPK14TGFBR2
SCHEMBL17767437 0.80 TGFBR1 (0.68) TGFBR1RAB9ANPC1POLBHPGD
SCHEMBL7784464 0.79 TGFBR1 (1.00) TGFBR1ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL17767695 0.78 TGFBR1 (0.64) TGFBR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL17767770 0.77 TGFBR1 (0.63) TGFBR1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL7786549 0.76 TGFBR1 (1.00) TGFBR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4569965 0.74 RAB9A (0.68) TGFBR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL29496952 0.74 RAB9A (0.68) TGFBR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL29496949 0.74 RAB9A (0.68) TGFBR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL17767722 0.74 TGFBR1 (0.65) TGFBR1ALDH1A1MEN1KMT2ATGFBR2

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 8 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
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins B&G PARTNERS, LLC 2012-01-26 US disclosed
EP-2409708-A1 Compounds and methods for selectively targeting tumor-associated mucins B & G Partners, LLC (US) 2012-01-25 EP 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 (3 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 1984/4885MAPT 1420/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885RAB9A 1984/4885MAPT 1420/4885
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK TGFBR1 1324/4885RAB9A 3453/4885MAPT 4076/4885

“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.