SCHEMBL3971830

SCHEMBL3971830

Cc1ccc2nc(C)c(-c3sc4ccc(F)cc4c3C)n2n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.64
CYP17A1 P05093 2/20 0.35
ROCK1 Q13464 4/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PDE10A Q9Y233 4/20 0.31
HRH4 Q9H3N8 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CYP3A4 P08684 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL3967219 0.81 CRHR1 (0.71) CRHR1CYP17A1ROCK1KDM4EPDE10A
SCHEMBL3967632 0.78 CRHR1 (1.00) CRHR1CYP17A1ROCK1KDM4EPDE10A
SCHEMBL13763358 0.77 CRHR1 (1.00) CRHR1CYP17A1PDE10A
SCHEMBL3963863 0.77 CRHR1 (0.69) CRHR1CYP17A1KDM4EPDE10APTGDR2
SCHEMBL3970579 0.76 CRHR1 (0.87) CRHR1CYP17A1ROCK1PDE10A
SCHEMBL3971459 0.76 CRHR1 (0.63) CRHR1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3965179 0.75 CRHR1 (0.67) CRHR1KDM4EPDE10A
SCHEMBL4693619 0.75 CRHR1 (0.67) CRHR1KDM4EPDE10APTGDR2CYP3A4
SCHEMBL3970101 0.75 CRHR1 (0.67) CRHR1KDM4EPTGDR2NPC1RAB9A
SCHEMBL4693477 0.75 CRHR1 (0.67) CRHR1KDM4EPDE10APTGDR2CYP3A4

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 CRHR1 1/4885CYP17A1 821/4885ROCK1 3488/4885

“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.