SCHEMBL3970480

SCHEMBL3970480

CCC(CC)c1cc(C)nn2c(-c3cc4ccc(C)cc4[nH]3)c(C)nc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.48
CRHR2 Q13324 1/20 0.43
ITK Q08881 12/20 0.37
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RET P07949 1/20 0.35
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3964426 0.89 CRHR1 (0.47) CRHR1CRHR2RETHPGDKDM4E
SCHEMBL3965102 0.80 CRHR1 (0.48) CRHR1CRHR2MAPTHPGDKDM4E
SCHEMBL3965673 0.79 CRHR1 (0.60) CRHR1CRHR2KDM4ESMN1; SMN2
SCHEMBL3967448 0.78 CRHR1 (0.51) CRHR1CRHR2
SCHEMBL5216342 0.75 CRHR1 (0.49) CRHR1CRHR2
SCHEMBL3965066 0.75 CRHR1 (0.56) CRHR1CRHR2
SCHEMBL3964552 0.75 CRHR1 (0.56) CRHR1CRHR2MAPTKDM4EALDH1A1
SCHEMBL3962531 0.75 CRHR1 (0.49) CRHR1CRHR2MAPTRXFP1MEN1
SCHEMBL3965092 0.74 CRHR1 (0.55) CRHR1CRHR2KDM4EMEN1KMT2A
SCHEMBL3970535 0.74 CRHR1 (0.55) 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 8 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-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
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
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 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 1/4885CRHR2 3/4885ITK 2559/4885

“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.