SCHEMBL3968151

SCHEMBL3968151

CCc1cc(C)nn2cc(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMPD3 Q9NY59 1/20 0.40
LMNA P02545 4/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 1/20 0.34
CYP19A1 P11511 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MPI P34949 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 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
SCHEMBL21120085 0.84 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10SMPD3MAPT
SCHEMBL25095882 0.84 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10SMPD3KDM4E
SCHEMBL25151362 0.84 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10SMPD3LMNA
SCHEMBL25151336 0.81 SMPD3 (0.38) ALDH1A1HPGDHSD17B10SMPD3LMNA
SCHEMBL25151337 0.80 HTT (0.44) ALDH1A1HPGDHSD17B10SMPD3LMNA
SCHEMBL25151367 0.78 SMPD3 (0.39) ALDH1A1HPGDHSD17B10SMPD3LMNA
SCHEMBL25151335 0.78 SMPD3 (0.42) ALDH1A1HPGDHSD17B10SMPD3LMNA
SCHEMBL25151369 0.78 SMPD3 (0.42) ALDH1A1HPGDHSD17B10SMPD3LMNA
SCHEMBL19185271 0.76 SYK (0.35) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL3970342 0.76 KDM4E (0.52) ALDH1A1HPGDHSD17B10SMPD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023034812-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-03-09 WO disclosed
WO-2023034811-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-03-09 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 ALDH1A1 1479/4885HPGD 756/4885HSD17B10 2537/4885

“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.