SCHEMBL3962647

SCHEMBL3962647

COCNC(=O)c1cccc2c(Br)c(C)sc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 2/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
AHR P35869 1/20 0.34
GAA P10253 1/20 0.34
USP2 O75604 1/20 0.33
PTGS2 P35354 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSD P07339 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
SCHEMBL3962592 0.81 TSHR (0.45) HPGDPOLBALDH1A1MAPK1KDM4E
SCHEMBL3962564 0.76 PDE10A (0.41) HPGDPOLBALDH1A1KDM4ENPC1
SCHEMBL3966563 0.74 ESR1 (0.40) HPGDPOLBTP53GLAALDH1A1
SCHEMBL3962654 0.74 TRPM8 (0.36) KMT2AMEN1AHR
SCHEMBL4109383 0.72 PLK1 (0.60) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL3967898 0.72 ALDH1A1 (0.39) HPGDALDH1A1KDM4ENPC1HTT
SCHEMBL18529816 0.71 HPGD (0.56) HPGDPOLBALDH1A1KDM4ENPC1
SCHEMBL3964352 0.70 EDNRA (0.30)
SCHEMBL4109427 0.70 HPGD (0.43) HPGDGLAALDH1A1NPC1RAB9A
SCHEMBL1623348 0.69 PTGS2 (0.67) HPGDTP53GLAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 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-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 HPGD 756/4885POLB 4653/4885TP53 4792/4885

“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.