SCHEMBL6440778

SCHEMBL6440778

Nn1ccnc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ESR1 P03372 1/20 0.46
ALDH1A1 P00352 3/20 0.41
LIMK1 P53667 2/20 0.41
MAPK14 Q16539 2/20 0.41
CHEK1 O14757 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDR P35968 8/20 0.41
PRKACA P17612 2/20 0.41
CDK8 P49336 2/20 0.41
MAP2K1 Q02750 2/20 0.41
ACVR1 Q04771 2/20 0.41
ROCK1 Q13464 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL22959903 0.83 KMT2A (0.40) KMT2AESR1ALDH1A1LIMK1MAPK14
SCHEMBL27556606 0.81 TNKS (0.41) KMT2AALDH1A1KDM4EMAPTKDR
SCHEMBL5192672 0.77 ESR1 (0.49) KMT2AESR1ALDH1A1LIMK1MAPK14
SCHEMBL7738310 0.75 FLT1 (0.34) ESR1ALDH1A1LIMK1CDK8ROCK1
SCHEMBL8190241 0.75 CLK4 (0.49) ALDH1A1LIMK1MAPTTDP1CDK8
SCHEMBL14465345 0.75 NPC1 (0.60) ALDH1A1KDM4EMAPTTDP1KDR
SCHEMBL6599436 0.75 CLK4 (0.47) KMT2AALDH1A1KDM4EMAPTTDP1
SCHEMBL5533567 0.74 ESR1 (0.46) KMT2AESR1ALDH1A1LIMK1MAPK14
SCHEMBL1263722 0.74 ESR1 (0.50) KMT2AESR1ALDH1A1LIMK1MAPK14
SCHEMBL19065614 0.74 ESR1 (0.46) KMT2AESR1ALDH1A1LIMK1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100374424-C Heterocyclic amide derivative and use as pesticide BAYER CROPSCIENCE AG (DE) 2008-03-12 CN claimed
US-6869715-B2 Ion conductive membrane for electrochemical application GKSS-FORSCHUNGSZENTRUM GEESTHACHT, GMBH (DE) 2005-03-22 US claimed
US-20040248958-A1 Heterocyclic amide derivatives BAYER CROPSCIENCE AG (DE) 2004-12-09 US claimed
CN-1551870-A heterocyclic amide derivatives and their use as pesticides 拜尔农作物科学股份公司 2004-12-01 CN claimed
US-20040101732-A1 Ion conductive membrane for electrochemical application GKSS FORSCHUNGSZENTRUM GEESTHACHT GMBH (DE) 2004-05-27 US claimed
EP-1417178-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2004-05-12 EP claimed
WO-2003004464-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-16 WO claimed
CN-106456581-A Trka kinase inhibitors, compositions and methods thereof 默沙东公司 2017-02-22 CN disclosed
CN-103442566-B The compound of Therapeutic cancer GTX, INC. (US) 2015-12-09 CN disclosed
CN-103442566-A Compounds for treatment of cancer GTX INC 2013-12-11 CN disclosed
CN-100374424-C Heterocyclic amide derivative and use as pesticide BAYER CROPSCIENCE AG (DE) 2008-03-12 CN disclosed
US-20040248958-A1 Heterocyclic amide derivatives BAYER CROPSCIENCE AG (DE) 2004-12-09 US disclosed
CN-1551870-A heterocyclic amide derivatives and their use as pesticides 拜尔农作物科学股份公司 2004-12-01 CN disclosed
US-4956470-A BACTERICIDES, FUNGICIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS HOFFMANN-LA ROCHE INC. (US) 1990-09-11 US disclosed
US-4814332-A PARASITICIDES HOFFMAN-LA ROCHE INC. (US) 1989-03-21 US disclosed
US-4808727-A CHEMICAL INTERMEDIATES FOR WATER-SOLUBLE SALTS OF PARASITICIDES HOFFMANN-LAROCHE INC. (US) 1989-02-28 US disclosed
CN-87107148-A 1, the 3-Disubstituted imidazolium salts 1988-05-18 CN disclosed
EP-0266532-A1 1,3-Disubstituted imidazolium salts F. HOFFMANN-LA ROCHE AG (CH) 1988-05-11 EP disclosed
EP-0253084-A2 1,3-Disubstituted imidazolium salts F. HOFFMANN-LA ROCHE AG (CH) 1988-01-20 EP disclosed
CN-87103528-A 1, the 3-3-disubstituted imidazolium salts 1987-12-02 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 (1 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-20040248958-A1 Heterocyclic amide derivatives DDT, CYP2E1, CYP1A1 KMT2A 1254/4885ESR1 2199/4885ALDH1A1 116/4885

“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.