SCHEMBL14722741

SCHEMBL14722741

N#Cc1cc(I)ccc1-n1cncn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 2/20 0.35
S1PR3 Q99500 1/20 0.34
CYP19A1 P11511 7/20 0.34
ALOX5AP P20292 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP11B1 P15538 1/20 0.33
TSHR P16473 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL25077473 0.88 CYP19A1 (0.36) CYP2C19CYP1A2CYP2C9CYP3A4S1PR3
SCHEMBL2526423 0.81 CYP3A4 (0.41) P2RX3P2RX2CYP2C19CYP1A2CYP2C9
SCHEMBL20335430 0.81 CYP1A2 (0.40) P2RX3P2RX2CYP2C19CYP1A2CYP2C9
SCHEMBL1842982 0.81 KDM4E (0.51) P2RX3P2RX2CYP2C19CYP1A2CYP2C9
SCHEMBL5475832 0.81 S1PR3 (0.45) S1PR3CYP19A1ALDH1A1KDM4E
SCHEMBL1841354 0.78 P2RX3 (0.36) P2RX3P2RX2CYP2C19CYP1A2CYP2C9
SCHEMBL25077114 0.78 CYP19A1 (0.42) P2RX3P2RX2CYP2C19CYP1A2CYP2C9
SCHEMBL25077116 0.78 CYP19A1 (0.47) P2RX3P2RX2CYP2C19CYP1A2CYP2C9
SCHEMBL12536230 0.78 KDM4E (0.40) P2RX3P2RX2CYP2C19CYP1A2CYP2C9
SCHEMBL1610377 0.78 ALDH1A1 (0.54) P2RX3P2RX2CYP2C19CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343049-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-20 US disclosed
US-20140343049-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-20 US disclosed
US-20140343049-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-20 US disclosed
US-20140235533-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-21 US disclosed
US-20140235533-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-21 US disclosed
US-20140235533-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-21 US disclosed
EP-2748137-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2014-07-02 EP disclosed
WO-2013026726-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
WO-2013026724-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
US-7666979-B2 polyvalent targeting ligands that bind to cells used for diagnosis of diseases sensitivity to angiogenesis factor BRACCO INTERNATIONAL B.V. (NL) 2010-02-23 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 (2 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-20140235533-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS DDT, CBR3, HRH4 P2RX3 837/4885P2RX2 1189/4885CYP2C19 555/4885
US-20140343049-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS NQO2, NIT2, QDPR P2RX3 1056/4885P2RX2 790/4885CYP2C19 1768/4885

“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.