SCHEMBL3962704

SCHEMBL3962704

Cn1c(I)nc2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.47
HCRTR1 O43613 1/20 0.44
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NUDT1 P36639 1/20 0.42
BACE1 P56817 1/20 0.42
AGPAT2 O15120 2/20 0.41
FGFR1 P11362 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE2A O00408 2/20 0.40
PDE10A Q9Y233 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL749310 0.85 RAB9A (0.47) KDM4EALDH1A1CYP1A2HPGDKMT2A
SCHEMBL20921174 0.79 KDM4E (0.50) KDM4EALDH1A1CYP1A2KMT2AMAPT
SCHEMBL435075 0.79 NPC1 (0.61) KDM4EALDH1A1CYP1A2HPGDKMT2A
SCHEMBL1104420 0.78 KDM4E (0.48) KDM4EALDH1A1CYP1A2HPGDKMT2A
SCHEMBL1977970 0.78 BACE1 (0.56) KDM4EALDH1A1CYP1A2HPGDKMT2A
SCHEMBL3967968 0.78 MEN1 (0.44) KDM4EALDH1A1HPGDKMT2AHCRTR1
SCHEMBL31031663 0.78 MAPT (0.53) ALDH1A1CYP1A2HPGDKMT2AMAPT
SCHEMBL14504050 0.75 KDM4E (0.46) KDM4EALDH1A1CYP1A2HPGDKMT2A
SCHEMBL4159853 0.75 KMT2A (0.49) KDM4EALDH1A1CYP1A2HPGDKMT2A
SCHEMBL3965377 0.75 ALDH1A1 (0.55) KDM4EALDH1A1HPGDKMT2AMAPT

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 KDM4E 4385/4885ALDH1A1 1479/4885CYP1A2 603/4885

“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.