SCHEMBL3225554

SCHEMBL3225554

C#CCc1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
CYP3A4 P08684 3/20 0.62
MAPT P10636 3/20 0.62
AHR P35869 1/20 0.62
GPR84 Q9NQS5 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HTR2A P28223 4/20 0.55
CYP2D6 P10635 3/20 0.55
HTR2C P28335 3/20 0.55
HTR6 P50406 3/20 0.55
HTR1D P28221 2/20 0.55
HTR1B P28222 2/20 0.55
HTR7 P34969 2/20 0.55
MPO P05164 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
NFKB1 P19838 1/20 0.55
CTSK P43235 1/20 0.55
CYP2A13 Q16696 1/20 0.55

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
SCHEMBL149254 0.81 MEN1 (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL347688 0.81 MEN1 (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL29521038 0.81 MEN1 (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL1308758 0.81 MEN1 (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL5711270 0.78 MEN1 (0.69) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL29141685 0.78 MC1R (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL4985934 0.77 HTR2A (0.77) MEN1KMT2ACYP3A4MAPTAHR
Arundine SCHEMBL325162 0.77 MEN1 (1.00) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL8340521 0.77 HTR2A (0.59) MEN1KMT2ACYP3A4MAPTAHR
Indole-3-Carbinol SCHEMBL2867957 0.75 MEN1 (0.72) MEN1KMT2ACYP3A4MAPTAHR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114014859-A Triazole indolol compound and synthesis method thereof 绍兴文理学院 2022-02-08 CN claimed
EP-1294699-B1 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORP (US) 2016-04-13 EP claimed
EP-1673349-B1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2010-06-30 EP claimed
EP-0831812-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH VERTEX PHARMA (US) 2005-12-07 EP claimed
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP claimed
EP-0584223-B1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMA (US) 1999-08-11 EP claimed
EP-0649431-B1 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-08-11 EP claimed
CN-114014859-A Triazole indolol compound and synthesis method thereof 绍兴文理学院 2022-02-08 CN disclosed
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 US disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 MEN1 3383/4885KMT2A 1384/4885CYP3A4 1811/4885
US-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 MEN1 1512/4885KMT2A 3166/4885CYP3A4 918/4885

“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.