SCHEMBL3618629

SCHEMBL3618629

COc1nnc(C)c(-c2cccs2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 2/20 0.36
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 7/20 0.36
HPGD P15428 6/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 6/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GLA P06280 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
HSD17B10 Q99714 4/20 0.34
MAPK1 P28482 4/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3611240 0.91 NPC1 (0.38) RPS6KB2ALDH1A1KDM4EHPGDTDP1
SCHEMBL3610666 0.88 MAPT (0.37) ALDH1A1KDM4EHPGDTDP1GAA
SCHEMBL3608511 0.84 MAPT (0.35) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL3618362 0.82 KDM4E (0.36) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL2355414 0.74 MEN1 (0.47) KDM4ETDP1NPSR1MAPTSMN1; SMN2
SCHEMBL3338724 0.73 RAC1 (0.39) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3617725 0.72 TYMP (0.39) ALDH1A1KDM4EHPGDNPSR1GAA
SCHEMBL2320556 0.71 MEN1 (0.30) KMT2AMEN1
SCHEMBL1874422 0.70 PDE10A (0.37) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2039642 0.68 SLC34A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113464-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US claimed
EP-2041113-A1 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-01 EP claimed
WO-2008009406-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-24 WO claimed
US-20100113464-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
EP-2041113-A1 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-01 EP disclosed
WO-2008009406-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-24 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 (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-20100113464-A1 NOVEL PYRIDAZINE DERIVATIVES C3AR1, CBR3, C5 RPS6KB2 3792/4885ALDH1A1 1380/4885KDM4E 2526/4885

“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.