SCHEMBL12401516

SCHEMBL12401516

CC(c1ccncc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
GAA P10253 1/20 0.41
KIF11 P52732 1/20 0.38
CYP19A1 P11511 1/20 0.38
CHEK1 O14757 2/20 0.37
PLK1 P53350 2/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
PIM1 P11309 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PRKX P51817 1/20 0.37
CSNK1G2 P78368 1/20 0.37

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
SCHEMBL12507316 1.00 CYP3A4 (0.44) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL17465646 1.00 CYP3A4 (0.44) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL2336440 0.78 CYP3A4 (0.43) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL13028796 0.78 GAA (0.44) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL14159083 0.78 CYP3A4 (0.39) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL633914 0.77 CYP3A4 (0.46) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL27636980 0.75 CYP3A4 (0.44) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL13028894 0.75 HCAR2 (0.34)
SCHEMBL10442450 0.74 CYP17A1 (0.55) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL14431333 0.74 TAAR1 (0.50) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037889-B1 MEMBER FOR ELECTROPHOTOGRAPHY AND METHOD OF PRODUCING THE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KK (JP) 2023-11-29 EP disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
EP-2804889-B1 PROTON-CONDUCTING MEMBRANE, METHOD FOR THEIR PRODUCTION AND THEIR USE IN ELECTROCHEMICAL CELLS BASF SE (DE) 2019-03-13 EP disclosed
EP-2843743-B1 Membrane electrode units for high temperature fuel cells with improved stability BASF SE (DE) 2018-03-28 EP disclosed
EP-2580799-B1 METHOD FOR THE PRODUCTION OF AN ELECTROCHEMICAL CELL RENSSELAER POLYTECH INST (US) 2017-03-08 EP disclosed
US-9102633-B2 Arylalkyl- and aryloxyalkyl-substituted epithelial sodium channel blocking compounds PARION SCIENCES, INC. (US) 2015-08-11 US disclosed
US-20130177531-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-11 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110171175-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 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 (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-20110171175-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 CYP3A4 1626/4885CYP2C19 1185/4885SLC6A2 3742/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 CYP3A4 3862/4885CYP2C19 4234/4885SLC6A2 4731/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 CYP3A4 4166/4885CYP2C19 3755/4885SLC6A2 942/4885
US-20130177531-A1 Inhibitors of Serine Proteases PRSS1, SERPINB1, PRSS3 CYP3A4 1626/4885CYP2C19 1185/4885SLC6A2 3742/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 CYP3A4 1706/4885CYP2C19 1215/4885SLC6A2 3639/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 CYP3A4 830/4885CYP2C19 327/4885SLC6A2 2319/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CYP3A4 158/4885CYP2C19 1096/4885SLC6A2 1359/4885

“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.