SCHEMBL2118942

SCHEMBL2118942

Cn1ncc2cc(I)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
TRPA1 O75762 1/20 0.45
CTNNB1 P35222 1/20 0.43
TCF7 P36402 1/20 0.43
CDC7 O00311 1/20 0.43
TRPM5 Q9NZQ8 1/20 0.43
APP P05067 1/20 0.41
MAOA P21397 2/20 0.40
ACHE P22303 1/20 0.40
PDE1C Q14123 1/20 0.40
VNN1 O95497 1/20 0.39
AR P10275 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2144057 0.84 NOTUM (0.44) MAOBTRPA1CTNNB1TCF7TRPM5
SCHEMBL31172027 0.84 NOTUM (0.44) MAOBTRPA1CTNNB1TCF7TRPM5
SCHEMBL18652291 0.78 TRPA1 (0.45) TRPA1CTNNB1TCF7CDC7TRPM5
SCHEMBL424964 0.78 TRPA1 (0.46) MAOBTRPA1CTNNB1TCF7CDC7
SCHEMBL29769166 0.78 TRPA1 (0.46) MAOBTRPA1CTNNB1TCF7CDC7
SCHEMBL25044243 0.78 NOS1 (0.38) MAPTCYP11B2
SCHEMBL11794 0.76 EGFR (0.46) MAOBTRPA1CTNNB1TCF7CDC7
SCHEMBL2117212 0.76 TRPA1 (0.45) MAOBTRPA1CTNNB1TCF7CDC7
SCHEMBL13106151 0.76 KMO (0.51) MAOBTRPA1CTNNB1TCF7CDC7
SCHEMBL378619 0.76 CHEK1 (0.57) MAOBTRPA1CTNNB1TCF7CDC7

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344605-B2 Substituted pyrrolidine amides II GRUENENTHAL GMBH (DE) 2025-07-01 US disclosed
US-12319676-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-06-03 US disclosed
CN-118852154-A Carboxamide substituted hetero tricyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-10-29 CN disclosed
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 US disclosed
US-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 US disclosed
US-11339161-B2 Triazolo pyridines as modulators of gamma-secretase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-24 US disclosed
US-20220127264-A1 SUBSTITUTED PYRROLIDINE AMIDES II GRUENENTHAL GMBH (DE) 2022-04-28 US disclosed
US-20150057295-A1 New 6-Alkynyl Pyridine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 US disclosed
US-20150057295-A1 New 6-Alkynyl Pyridine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 US disclosed
WO-2014202580-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 WO disclosed
US-20130324725-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-12-05 US disclosed
US-8455507-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-19 US disclosed
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US disclosed
EP-2146982-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-01-27 EP disclosed
WO-2008128009-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 WO disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 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 (10 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-12319676-B2 Substituted amide compounds useful as farnesoid X receptor modulators NR1H4, FXR1, NR1H3 MAOB 2278/4885TRPA1 1386/4885CTNNB1 1183/4885
US-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 MAOB 2225/4885TRPA1 1251/4885CTNNB1 1632/4885
US-20150057295-A1 New 6-Alkynyl Pyridine MKI67, SMARCC1, SMARCC2 MAOB 1712/4885TRPA1 4094/4885CTNNB1 1383/4885
US-20220127264-A1 SUBSTITUTED PYRROLIDINE AMIDES II NR3C1, NR3C2, MC2R MAOB 1847/4885TRPA1 3436/4885CTNNB1 4848/4885
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MAOB 2225/4885TRPA1 1251/4885CTNNB1 1632/4885
US-20120095014-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB MAOB 2712/4885TRPA1 4539/4885CTNNB1 3362/4885
US-12344605-B2 Substituted pyrrolidine amides II NR3C1, NR3C2, MC2R MAOB 1847/4885TRPA1 3436/4885CTNNB1 4848/4885
US-20130324725-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB MAOB 2712/4885TRPA1 4539/4885CTNNB1 3362/4885
US-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 MAOB 1603/4885TRPA1 2969/4885CTNNB1 3066/4885
US-11339161-B2 Triazolo pyridines as modulators of gamma-secretase BACE1, BACE2, APP MAOB 300/4885TRPA1 3733/4885CTNNB1 337/4885

“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.