SCHEMBL4535496

SCHEMBL4535496

C#CCc1nc2ccccc2c(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.52
ACHE P22303 6/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
GLA P06280 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CHRM2 P08172 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
CHRM1 P11229 2/20 0.52
SLC6A2 P23975 2/20 0.52
OPRM1 P35372 2/20 0.52
KCNH2 Q12809 2/20 0.52
NQO2 P16083 1/20 0.52
MAOA P21397 1/20 0.52
DRD1 P21728 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL5800686 0.81 ACHE (0.46) HSD17B10ACHEALDH1A1KDM4EHPGD
SCHEMBL20475930 0.77 ALDH1A1 (0.57) HSD17B10ACHEALDH1A1KDM4EHPGD
SCHEMBL787604 0.77 KDM4E (0.57) HSD17B10ACHEALDH1A1KDM4EHPGD
SCHEMBL1490745 0.72 HSD17B10 (0.52) HSD17B10ACHEALDH1A1KDM4EHPGD
SCHEMBL5461996 0.72 ACHE (0.52) HSD17B10ACHEALDH1A1KDM4EHPGD
SCHEMBL5356465 0.71 ACHE (0.50) HSD17B10ACHEALDH1A1KDM4EHPGD
SCHEMBL3868327 0.71 HSD17B10 (0.50) HSD17B10ACHEALDH1A1KDM4EHPGD
SCHEMBL4320768 0.70 ACHE (0.48) HSD17B10ACHEALDH1A1KDM4EHPGD
SCHEMBL5355323 0.70 ALDH1A1 (0.48) HSD17B10ACHEALDH1A1KDM4EHPGD
Aminacrine SCHEMBL14999 0.70 HSD17B10 (1.00) HSD17B10ACHEALDH1A1KDM4EHPGD

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
US-8802853-B2 Arylalkenyl and arylalkynyl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-12 US disclosed
US-20090030030-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-29 US disclosed
EP-1701955-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-09-20 EP disclosed
WO-2006065280-A2 ISOXAZOLE, DIHYDROISOXAZOLE, AND OXADIAZOLE SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-22 WO disclosed
WO-2005066170-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 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-20090030030-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 HSD17B10 3381/4885ACHE 4663/4885ALDH1A1 669/4885

“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.