SCHEMBL2814353

SCHEMBL2814353

c1cc(-c2ccncn2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
CYP2D6 P10635 1/20 0.45
GRM5 P41594 2/20 0.44
MAPK9 P45984 4/20 0.41
MAPK14 Q16539 3/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK10 P53779 2/20 0.40
CCNT1 O60563 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CDK9 P50750 2/20 0.40
CCNA1 P78396 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
LATS1 O95835 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
GSK3B P49841 2/20 0.39

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
SCHEMBL30595872 1.00 HSP90AA1 (0.52) HSP90AA1CYP2D6GRM5MAPK9MAPK14
SCHEMBL10402322 0.94 HSP90AA1 (0.48) HSP90AA1CYP2D6GRM5MAPK9MAPK14
SCHEMBL13910999 0.90 HSP90AA1 (0.50) HSP90AA1CYP2D6GRM5MAPK9MAPK14
SCHEMBL3107817 0.87 LMNA (0.44) HSP90AA1CYP2D6GRM5MAPK9MAPK14
SCHEMBL9903935 0.85 CYP2D6 (0.60) HSP90AA1CYP2D6GRM5MAPK9MAPK14
SCHEMBL4294864 0.84 KDM4E (0.67) HSP90AA1GRM5MAPK9MAPK14MAPK11
SCHEMBL29394083 0.84 KDM4E (0.67) HSP90AA1GRM5MAPK9MAPK14MAPK11
SCHEMBL25295479 0.83 TP53 (0.48) HSP90AA1CYP2D6GRM5MAPK9MAPK14
SCHEMBL5989213 0.83 HSP90AA1 (0.44) HSP90AA1CYP2D6GRM5MAPK9MAPK14
SCHEMBL8499115 0.83 CYP2D6 (0.53) HSP90AA1CYP2D6GRM5MAPK9MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120259073-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS ZYVEX PERFORMANCE MATERIALS, INC. (US) 2012-10-11 US claimed
US-20100009165-A1 Multifunctional Nanomaterial-Containing Composites and Methods for the Production Thereof ZYVEX PERFORMANCE MATERIALS, LLC (US) 2010-01-14 US claimed
US-20090203867-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS ZYVEX PERFORMANCE MATERIALS, INC. (US) 2009-08-13 US claimed
EP-1740655-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS Zyvex Corporation (US) 2007-01-10 EP claimed
US-20060054866-A1 Methods for the synthesis of modular poly(phenyleneethynlenes) and fine tuning the electronic properties thereof for the functionalization of nanomaterials ZYVEX CORPORATION. (US) 2006-03-16 US claimed
WO-2005100466-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS ZYVEX CORPORATION (US) 2005-10-27 WO claimed
US-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-20 US disclosed
US-11673100-B2 Systems and methods for integrated solar photodialysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-13 US disclosed
US-11673100-B2 Systems and methods for integrated solar photodialysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-13 US disclosed
US-11584732-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-02-21 US disclosed
US-11318424-B2 Light-driven ion-pumping membrane systems THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-03 US disclosed
EP-2854948-B1 METAL-BASED THIOPHENE PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (CA) 2019-09-25 EP disclosed
US-20190217255-A1 SYSTEMS AND METHODS FOR INTEGRATED SOLAR PHOTODIALYSIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-07-18 US disclosed
WO-2005100466-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS ZYVEX CORPORATION (US) 2005-10-27 WO disclosed
EP-0994834-A4 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA INC (US) 2004-12-29 EP disclosed
WO-2004106420-A2 NANOCOMPOSITES AND METHOD FOR PRODUCTION ZYVEX CORPORATION (US) 2004-12-09 WO disclosed
US-20030120125-A1 Ligated platinum group metal catalyst complex and improved process for catalytically converting alkanes to esters and derivatives thereof PERIANA ROY A (US) 2003-06-26 US disclosed
EP-0994834-A1 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA, INC. (US) 2000-04-26 EP disclosed
WO-1998050333-A1 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA, INC. (US) 1998-11-12 WO disclosed
WO-1995005670-A1 PHOTOVOLTAIC CELL WITH A PHOTO-SENSITISED, SEMICONDUCTING METAL OXIDE COATING QUINTEN WERNER (DE) 1995-02-23 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 (3 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-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM2, GRM6 HSP90AA1 2558/4885CYP2D6 940/4885GRM5 1/4885
US-11584732-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM2, GRM6 HSP90AA1 2558/4885CYP2D6 940/4885GRM5 1/4885
US-20030120125-A1 Ligated platinum group metal catalyst complex and improved process for catalytically converting alkanes to esters and derivatives thereof BID, MDH2, LIG4 HSP90AA1 4553/4885CYP2D6 941/4885GRM5 873/4885

“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.