SCHEMBL7925552

SCHEMBL7925552

Cc1cnn2c1NCCC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CYP1A2 P05177 1/20 0.30
UHRF1 Q96T88 1/20 0.30

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
SCHEMBL9020642 0.88
SCHEMBL17523539 0.77 HTR7 (0.41) MAPTCYP11B1CYP11B2SMN1; SMN2ALDH1A1
SCHEMBL1800727 0.77 CCNT1 (0.30) CCNT1CDK9
SCHEMBL17869465 0.77 CHRNB2 (0.31) CCNT1CDK9
SCHEMBL25722914 0.77 CCNT1 (0.31) CCNT1CDK9
SCHEMBL18013173 0.77 MAPT (0.36) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL12265082 0.77 SSTR4 (0.32) CCNT1CDK9
Hydrochloric Acid SCHEMBL8156603 0.76
SCHEMBL5151795 0.73 CYP11B1 (0.38) CYP11B1CYP11B2SMN1; SMN2KDM4EALDH1A1
SCHEMBL4206342 0.73 DRD2 (0.33) CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
EP-3697758-B1 SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-07-06 EP disclosed
US-20210395268-A1 CHEMICAL COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2021-12-23 US disclosed
EP-3539961-B1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2021-10-06 EP disclosed
US-11040985-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2021-06-22 US disclosed
WO-2021102468-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 WO disclosed
US-9708273-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-9458118-B2 Sodium channel modulators for the treatment of pain and diabetes CHROMOCELL CORPORATION (US) 2016-10-04 US disclosed
US-20160221974-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES CHROMOCELL CORPORATION (US) 2016-08-04 US disclosed
US-20160130239-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES CHROMOCELL CORPORATION (US) 2016-05-12 US disclosed
US-20160046617-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORPORATION (US) 2016-02-18 US disclosed
US-20150031713-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-01-29 US disclosed
US-8883810-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
WO-2014151472-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORPORATION (US) 2014-09-25 WO disclosed
US-8557832-B2 Aryl methyl benzoquinazolinine M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
WO-2010059773-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-05-27 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 (9 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-20160221974-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES SCN7A, SCN1A, SCN10A MAPT 3634/4885CYP11B1 1812/4885CYP11B2 1961/4885
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPT 2020/4885CYP11B1 89/4885CYP11B2 63/4885
US-20160130239-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES SCN7A, SCN1A, SCN10A MAPT 3634/4885CYP11B1 1812/4885CYP11B2 1961/4885
US-20210395268-A1 CHEMICAL COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY IL1B, IL1A, IL18 MAPT 2704/4885CYP11B1 2628/4885CYP11B2 3401/4885
US-20160046617-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN SCN7A, SCN10A, SCN2A MAPT 2667/4885CYP11B1 2330/4885CYP11B2 2178/4885
US-11040985-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 MAPT 2704/4885CYP11B1 2628/4885CYP11B2 3401/4885
US-20150031713-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 MAPT 661/4885CYP11B1 626/4885CYP11B2 893/4885
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 MAPT 2704/4885CYP11B1 2628/4885CYP11B2 3401/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A MAPT 4746/4885CYP11B1 1806/4885CYP11B2 1547/4885

“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.