SCHEMBL16746558

SCHEMBL16746558

Cc1cccc(C)c1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1(c2c(C)cccc2C)N=C(c2ccccc2)C(c2ccccc2)=N1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.36
AKT2 P31751 11/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE10A Q9Y233 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1864926 0.89 AKT1 (0.35) AKT1AKT2KDM4EALDH1A1GAA
SCHEMBL3172557 0.81 AKT1 (0.38) AKT1AKT2KDM4EGAANPSR1
SCHEMBL1868436 0.79 FABP4 (0.33) AKT1AKT2GAABCHEACHE
SCHEMBL476551 0.79 GAA (0.38) AKT1AKT2KDM4EGAA
SCHEMBL1060924 0.78 MGAM (0.36) AKT1AKT2GAA
SCHEMBL30343795 0.78 AKT1 (0.36) AKT1AKT2KDM4EALDH1A1NPC1
SCHEMBL309105 0.78 AKT1 (0.36) AKT1AKT2KDM4EALDH1A1NPC1
SCHEMBL1866689 0.77 AKT1 (0.37) AKT1AKT2NPC1RAB9ANPSR1
SCHEMBL1613142 0.77 BCHE (0.35) AKT1AKT2KDM4EALDH1A1HPGD
SCHEMBL16503665 0.76 AKT1 (0.35) AKT1AKT2BCHEACHETDP1

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-9371460-B2 Photopolymerization method, ink set, ink composition, and water-soluble biimidazole FUJIFILM CORPORATION (JP) 2016-06-21 US disclosed
US-9371460-B2 Photopolymerization method, ink set, ink composition, and water-soluble biimidazole FUJIFILM CORPORATION (JP) 2016-06-21 US disclosed
US-20150148442-A1 PHOTOPOLYMERIZATION METHOD, INK SET, INK COMPOSITION, AND WATER-SOLUBLE BIIMIDAZOLE FUJIFILM CORPORATION (JP) 2015-05-28 US disclosed
US-20150148442-A1 PHOTOPOLYMERIZATION METHOD, INK SET, INK COMPOSITION, AND WATER-SOLUBLE BIIMIDAZOLE FUJIFILM CORPORATION (JP) 2015-05-28 US 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-20150148442-A1 PHOTOPOLYMERIZATION METHOD, INK SET, INK COMPOSITION, AND WATER-SOLUBLE BIIMIDAZOLE JAK1, SETDB1, CCNI AKT1 650/4885AKT2 1251/4885KDM4E 249/4885

“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.