SCHEMBL3971362

SCHEMBL3971362

CC(C)n1c(I)nc2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
HCRTR1 O43613 1/20 0.35
KMT2A Q03164 1/20 0.35
RPS6KA5 O75582 1/20 0.35
RAD51 Q06609 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
SCHEMBL3967675 0.87 CYP11B1 (0.53) CYP11B1CYP11B2HTR2AHTR2C
SCHEMBL8130706 0.81 CYP11B1 (0.45) CYP11B1CYP11B2HTR2AHTR2CL3MBTL1
SCHEMBL1537613 0.80 CYP11B1 (0.41) CYP11B1CYP11B2HTR2AHTR2CHTR3E
SCHEMBL10247331 0.80 TSHR (0.41) CYP11B1CYP11B2HTR2AHTR2CHTR3E
SCHEMBL13071405 0.80 CYP11B1 (0.41) CYP11B1CYP11B2HTR2AHTR2CHTR3E
SCHEMBL3967968 0.77 MEN1 (0.44) CYP11B1CYP11B2HTR3EHTR3BHTR3A
SCHEMBL29467875 0.71 KDM4E (0.71) L3MBTL1MEN1KMT2A
SCHEMBL28706769 0.71 KDM4E (0.71) L3MBTL1MEN1KMT2A
SCHEMBL25080567 0.69 NPC1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19204043 0.68 CYP11B1 (0.46) CYP11B1CYP11B2HTR2AHTR2CRPS6KA5

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 CYP11B1 170/4885CYP11B2 179/4885HTR2A 53/4885

“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.