SCHEMBL2555951

SCHEMBL2555951

Cc1ncn(-c2ccc(C=O)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KCNJ1 P48048 2/20 0.49
MAPK1 P28482 1/20 0.47
CYP2A6 P11509 1/20 0.43
MAPK10 P53779 4/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TYR P14679 1/20 0.35

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
SCHEMBL14320867 0.84 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2KCNJ1MAPK1
SCHEMBL29936067 0.82 FGFR1 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPK1CYP2A6
SCHEMBL13183810 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPK10
SCHEMBL20168052 0.80 KCNJ1 (0.56) ALDH1A1KDM4ESMN1; SMN2KCNJ1MAPK1
SCHEMBL30444808 0.80 KCNJ1 (0.56) ALDH1A1KDM4ESMN1; SMN2KCNJ1MAPK1
SCHEMBL31402279 0.78 PSEN1 (0.37) ALDH1A1KCNJ1MAPK10CYP3A4PSEN1
SCHEMBL4549492 0.77 CYP2A6 (0.48) ALDH1A1KDM4ESMN1; SMN2KCNJ1MAPK1
SCHEMBL15299233 0.77 MAPK10 (0.42) ALDH1A1MAPK10NPSR1CYP3A4PSEN1
SCHEMBL719952 0.77 MAPK10 (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK10CYP3A4
SCHEMBL16202024 0.77 MAPK10 (0.42) KDM4ESMN1; SMN2MAPK10PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106165684-B Pesticidal compositions and methods relating thereto 陶氏益农公司 2019-06-14 CN disclosed
EP-3491922-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2019-06-05 EP disclosed
EP-3491922-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2019-06-05 EP disclosed
CN-105025715-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2018-11-16 CN disclosed
EP-2934135-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
EP-2934135-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
EP-2934118-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
EP-2934142-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
EP-2934118-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
EP-2934142-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
US-20140171308-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-19 US disclosed
EP-2723729-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2014-04-30 EP disclosed
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives BUR DANIEL (CH) 2013-04-18 US disclosed
EP-2552893-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-02-06 EP disclosed
WO-2012177813-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-12-27 WO disclosed
WO-2012177813-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-12-27 WO disclosed
US-20120329649-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2012-12-27 US disclosed
US-20120329649-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2012-12-27 US disclosed
US-20120329649-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2012-12-27 US disclosed
WO-2011121555-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-06 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-20120329649-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 854/4885KDM4E 3388/4885SMN1; SMN2 4147/4885
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives CLIC1, IRF3, KCNH3 ALDH1A1 944/4885KDM4E 3201/4885SMN1; SMN2 4732/4885
US-20140171308-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 854/4885KDM4E 3388/4885SMN1; SMN2 4147/4885

“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.