SCHEMBL3925880

SCHEMBL3925880

CCC(CC)c1cc(C)nn2c(-c3sc(NC)nc3C)c(C)nc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.58
CRHR2 Q13324 1/20 0.54
JUN P05412 2/20 0.31
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
CCNT1 O60563 4/20 0.31
CCNA2 P20248 4/20 0.31
CDK2 P24941 4/20 0.31
CDK9 P50750 4/20 0.31
CCNA1 P78396 3/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CDK7 P50613 1/20 0.31
CCNH P51946 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
SCHEMBL3926264 0.91 CRHR1 (0.56) CRHR1CRHR2
SCHEMBL13614548 0.90 CRHR1 (0.57) CRHR1CRHR2CDK2CDK9CDK1
SCHEMBL3926385 0.90 CRHR1 (0.57) CRHR1CRHR2
SCHEMBL3932242 0.89 CRHR1 (0.56) CRHR1CRHR2CCNT1CCNA2CDK2
SCHEMBL3921424 0.89 CRHR1 (0.56) CRHR1CRHR2
SCHEMBL3926829 0.88 CRHR1 (0.55) CRHR1CRHR2
SCHEMBL3932532 0.87 CRHR1 (0.54) CRHR1CRHR2
SCHEMBL3926510 0.86 CRHR1 (0.53) CRHR1CRHR2CCNT1CCNA2CDK2
SCHEMBL3935105 0.86 CRHR1 (0.53) CRHR1CRHR2CCNA2CDK2
SCHEMBL3922635 0.86 CRHR1 (0.62) CRHR1CRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
EP-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
EP-1869049-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2007-12-26 EP disclosed
WO-2006102194-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-28 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-20080113978-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 CRHR1 1/4885CRHR2 3/4885JUN 1841/4885

“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.