SCHEMBL4410852

SCHEMBL4410852

CC(C)n1nnnc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MCOLN2 Q8IZK6 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
SCHEMBL25009055 0.83 CYP1A2 (0.37) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL14417046 0.83 POLB (0.37) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL4404572 0.80 CYP1A2 (0.42) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL13314648 0.80
SCHEMBL4411130 0.80 CYP1A2 (0.38) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL20214947 0.79
SCHEMBL4404213 0.77 CYP1A2 (0.36) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL4416627 0.77 CYP1A2 (0.40) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL12775399 0.75 HCAR3 (0.39) TDP1
SCHEMBL4414805 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 US disclosed
US-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 US disclosed
US-9988420-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2018-06-05 US disclosed
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed
US-9884817-B2 Auristatin derivatives and conjugates thereof NOVARTIS AG (CH) 2018-02-06 US disclosed
US-9873705-B2 Vinylogous thioester compounds and methods of use THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-01-23 US disclosed
US-9873705-B2 Vinylogous thioester compounds and methods of use THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-01-23 US disclosed
US-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-01 US disclosed
US-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-01 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed
US-9149475-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8377924-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 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 (7 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-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB CYP1A2 4423/4885POLB 1944/4885CYP2C19 4503/4885
US-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP CYP1A2 4713/4885POLB 3250/4885CYP2C19 4023/4885
US-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP CYP1A2 4713/4885POLB 3250/4885CYP2C19 4023/4885
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB CYP1A2 4423/4885POLB 1944/4885CYP2C19 4503/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK CYP1A2 399/4885POLB 2232/4885CYP2C19 429/4885
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB CYP1A2 4376/4885POLB 4073/4885CYP2C19 4351/4885
US-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE ACOT7, LYPLA2, PPT1 CYP1A2 2276/4885POLB 2398/4885CYP2C19 3232/4885

“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.