SCHEMBL3970397

SCHEMBL3970397

CCCC(CCC)c1c(-c2cc3ccccc3o2)c(C)nn2cc(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 14/20 0.43
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL3970394 0.69 CRHR1 (0.42) F2RL3ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL7125503 0.62 MAOB (0.52) F2RL3ALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL15359253 0.61 F2RL3 (0.83) F2RL3
SCHEMBL16710561 0.60 F2RL3 (1.00) F2RL3
SCHEMBL5061307 0.59 MAOB (0.49) F2RL3ALDH1A1MAPTHSD17B10MKNK1
SCHEMBL19626111 0.59 ADRA2A (0.45) F2RL3ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL15359228 0.59 F2RL3 (1.00) F2RL3
SCHEMBL15359227 0.59 F2RL3 (1.00) F2RL3SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL103158 0.58 MAOB (0.63) ALDH1A1SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL30036439 0.58 MAOB (0.63) ALDH1A1SMN1; SMN2MAPTHSD17B10NPC1

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 F2RL3 580/4885ALDH1A1 1479/4885SMN1; SMN2 1787/4885

“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.