SCHEMBL2817154

SCHEMBL2817154

N#Cc1cccc(C#N)c1.N#Cc1cccc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ENPP2 Q13822 1/20 0.58
CLK4 Q9HAZ1 1/20 0.54
GSK3B P49841 2/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
GRM5 P41594 2/20 0.46

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
Water SCHEMBL28137572 1.00 TSHR (0.61) TSHRENPP2CLK4GSK3BDRD2
SCHEMBL9289 1.00 TSHR (0.61) TSHRENPP2CLK4GSK3BDRD2
Hydrochloric Acid SCHEMBL19327577 0.97 TSHR (0.58) TSHRENPP2CLK4GSK3BDRD2
Ammonia Solution, Strong SCHEMBL27601226 0.97 TSHR (0.58) TSHRENPP2CLK4GSK3BDRD2
Fluoride SCHEMBL28362409 0.97 TSHR (0.58) TSHRENPP2CLK4GSK3BDRD2
SCHEMBL27977620 0.97 TSHR (0.58) TSHRENPP2CLK4GSK3BDRD2
Cyanide SCHEMBL27586563 0.94 TSHR (0.55) TSHRENPP2CLK4GSK3BDRD2
SCHEMBL28971640 0.94 TSHR (0.63) TSHRENPP2CLK4GSK3BDRD2
SCHEMBL30873480 0.91 GRM5 (0.55) TSHRENPP2GRM5
Hydrazine SCHEMBL28200862 0.91 TSHR (0.52) TSHRENPP2CLK4GSK3BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153682-A1 METHOD FOR PRODUCING XYLYLENEDIAMINE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-05-19 US disclosed
EP-3760609-A1 METHOD FOR PRODUCING XYLYLENEDIAMINE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-01-06 EP disclosed
US-8212080-B2 Production method of xylylenediamine MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-07-03 US disclosed
US-20100168474-A1 PRODUCTION METHOD OF XYLYLENEDIAMINE MITSUBISHI GAS CHEMICAL COMPANY, INC (JP) 2010-07-01 US disclosed
US-7728174-B2 Continuous hydrogenation processes for the preparation of xylylenediamines BASF SE (DE) 2010-06-01 US disclosed
US-7541497-B2 Method for producing xylylenediamine (XDA) BASF AKTIENGESELLSCHAFT (DE) 2009-06-02 US disclosed
US-7528284-B2 Method for producing xylylenediamine (XDA) BASF AKTIENGESELLSCHAFT (DE) 2009-05-05 US disclosed
US-20080262266-A1 Method for the Production of Xylyendiamine BASF SE (DE) 2008-10-23 US disclosed
US-20080214871-A1 Method For Producing A Xylylene Diamine BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080161609-A1 Process for Preparing Xylylenediamine by Continuous Hydrogenation of Phthalontrile BASF AKTIENGESELLSCHAFT (DE) 2008-07-03 US disclosed
US-7323597-B2 Method for the production of diaminoxylene by continuous hydrogenation of liquid phthalonitrile BASF AKTIENGESELLSCHAFT (DE) 2008-01-29 US disclosed
CN-101107215-A Method for producing a xylylene diamine BASF AG (DE) 2008-01-16 CN disclosed
US-20070088178-A1 Method for producing xylylenediamine (xda) BASF AKTIENGESELLSCHAFT (DE) 2007-04-19 US disclosed
US-20070088179-A1 Method for producing xylylenediamine (xda) BASF AKTIENGESELLSCHAFT (DE) 2007-04-19 US disclosed
US-20070027345-A1 Method for the production of diaminoxylene by continuous hydrogenation of liquid phthalonitrile BASF AKTIENGESELLSCHAFT (DE) 2007-02-01 US disclosed
US-20070010693-A1 Method for producing xylylenediamine (xda) BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 US disclosed
US-20060258889-A1 Method for the production of diaminoxylene by continuous hydrogenation of liquid phthalonitrile BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 US disclosed
CN-1520396-A Method of purifying isophthalonitrile 三菱瓦斯化学株式会社 2004-08-11 CN disclosed
CN-1116277-C Process for preparing carbocyclic or heterocyclic nitriles by vapor phase ammoxidation MITSUBISHI RAYON CO (JP) 2003-07-30 CN disclosed
CN-1188104-A Process for preparing carbocyclic or heterocyclic nitriles by vapor phase ammoxidation NITTO CHEMICAL INDUSTRY CO LTD (JP) 1998-07-22 CN 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-20080262266-A1 Method for the Production of Xylyendiamine DCXR, HPD, XDH TSHR 2266/4885ENPP2 1940/4885CLK4 2132/4885
US-20100168474-A1 PRODUCTION METHOD OF XYLYLENEDIAMINE XDH, HNMT, DDC TSHR 4550/4885ENPP2 1279/4885CLK4 1970/4885
US-20080214871-A1 Method For Producing A Xylylene Diamine XDH, DCXR, CPNE4 TSHR 3979/4885ENPP2 1511/4885CLK4 2934/4885

“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.