SCHEMBL4765899

SCHEMBL4765899

COc1ccc(C#Cc2cccnc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
APP P05067 2/20 0.44
GAA P10253 2/20 0.42
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PLCG1 P19174 1/20 0.39
ACACB O00763 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL15775434 0.88 ALDH1A1 (0.50) MAPTALDH1A1APPGAAKCNH2
SCHEMBL27997120 0.87 ACACB (0.41) MAPTALDH1A1GAAACACBHPGD
SCHEMBL27997108 0.83 ALDH1A1 (0.42) ALDH1A1KCNH2PLCG1GRM5
SCHEMBL22271113 0.80 FFAR1 (0.35) KDM4ETP53GRM5
SCHEMBL28368555 0.78 POLB (0.57) MAPTALDH1A1APPGAAKCNH2
SCHEMBL28308740 0.75 APP (0.61) APPGAAKCNH2POLBACACB
SCHEMBL4058607 0.75 MAPT (0.47) MAPTALDH1A1GAAPOLBCLK4
SCHEMBL14102891 0.74 CLK4 (0.51) MAPTALDH1A1GAACLK4HPGD
SCHEMBL13863705 0.73 APP (0.63) ALDH1A1APPGAAKCNH2POLB
SCHEMBL312154 0.72 ALDH1A1 (0.44) MAPTALDH1A1APPKCNH2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MAPT 1892/4885ALDH1A1 2989/4885APP 4112/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPT 3756/4885ALDH1A1 1071/4885APP 4602/4885

“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.