SCHEMBL4077904

SCHEMBL4077904

C=CCn1c(I)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
KDM4E B2RXH2 4/20 0.57
PKM P14618 2/20 0.57
POLB P06746 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HTR3A P46098 1/20 0.54

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
SCHEMBL2879788 0.79 KDM4E (0.66) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL1604271 0.79 LMNA (0.60) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL10415288 0.79 LMNA (0.60) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL1668107 0.79 KDM4E (0.64) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL11569355 0.79 LMNA (0.60) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL16717737 0.79 PKM (0.61) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL2163308 0.78 PKM (0.68) LMNAKDM4EPKMPOLBNPSR1
Ethane SCHEMBL2146950 0.78 LMNA (0.63) LMNAKDM4EPKMPOLBNPSR1
SCHEMBL23552408 0.77 KDM4E (0.81) LMNAKDM4EPKMPOLBNPSR1
Hydrochloric Acid SCHEMBL2147071 0.77 LMNA (0.61) LMNAKDM4EPKMPOLBNPSR1

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
WO-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO 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
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 LMNA 4643/4885KDM4E 4385/4885PKM 2576/4885

“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.