SCHEMBL3623745

SCHEMBL3623745

COc1nnc(C)c(-c2ccc(SC)cn2)c1-c1ncc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
CRHR1 P34998 3/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3620969 0.90 EDNRB (0.30)
SCHEMBL3616132 0.90 KMT2A (0.34) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL3621834 0.86 KMT2A (0.33) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL3611247 0.76 PTGS2 (0.40) SMN1; SMN2KMT2ALMNACYP2C9TSHR
SCHEMBL10019353 0.76 MEN1 (0.36) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL3616326 0.76 MEN1 (0.36) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL3607384 0.76 KMT2A (0.33) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL3621884 0.75 LMNA (0.34) SMN1; SMN2KMT2ALMNACYP2C9TSHR
SCHEMBL3576141 0.68 CYP2C9 (0.38) SMN1; SMN2RAB9AMAPTKMT2ALMNA
SCHEMBL896318 0.63 CNR2 (0.37) NPC1RAB9AMAPTKMT2ACRHR1

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-20100029668-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-02-04 US claimed
EP-2049521-A2 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-22 EP claimed
WO-2008009405-A2 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-24 WO claimed
US-20100029668-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-02-04 US disclosed
EP-2049521-A2 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-22 EP disclosed
WO-2008009405-A2 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-20100029668-A1 NOVEL PYRIDAZINE DERIVATIVES C3AR1, C5, C1S SMN1; SMN2 4685/4885NPC1 2554/4885RAB9A 2047/4885

“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.