SCHEMBL1496286

SCHEMBL1496286

Brc1ccc2[c]ccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALK Q9UM73 1/20 0.36
BACE1 P56817 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
PABPC1 P11940 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
NCF1 P14598 1/20 0.31
GAK O14976 1/20 0.31
CHEK1 O14757 1/20 0.30
PIM1 P11309 1/20 0.30
AKT1 P31749 1/20 0.30
FLT3 P36888 1/20 0.30
PIM3 Q86V86 1/20 0.30

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
SCHEMBL944985 0.84 HTT (0.41) HTTCYP1A2CYP2C19ALKBACE1
SCHEMBL27645105 0.81 BIRC5 (0.42) HTTCYP1A2CYP2C19
SCHEMBL217998 0.78 NR4A2 (0.47) CYP1A2
SCHEMBL4471481 0.76 ALDH1A1 (0.46) CYP1A2CCNB2CDK1CCNB1GSK3A
SCHEMBL855089 0.76 FERMT2 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL5746853 0.72 NOS3 (0.39) CYP1A2GSK3AGSK3B
SCHEMBL660837 0.72 HTR1A (0.43) CYP1A2CCNB2CDK1CCNB1GSK3A
SCHEMBL946296 0.72 NOS3 (0.39) BACE1CCNB2CDK1CCNB1GSK3A
SCHEMBL857946 0.72 CDK5 (0.37) ALKCCNB2CDK1CCNB1GSK3A
SCHEMBL5748461 0.72 ALDH1A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897774-B2 Cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-01 US claimed
EP-1854787-B1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-01 EP claimed
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US claimed
EP-1854787-A1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-11-14 EP claimed
US-7897774-B2 Cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-01 US disclosed
EP-1854787-B1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-01 EP disclosed
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US disclosed
EP-1854787-A1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-11-14 EP 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-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SQOR, QSOX1, SQLE HTT 2298/4885CYP1A2 281/4885CYP2C19 471/4885

“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.