SCHEMBL4581255

SCHEMBL4581255

COc1cc(Nc2ccc(C#N)c(NCCO)c2)cc(C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
IMPDH2 P12268 2/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
SRC P12931 4/20 0.36
GAK O14976 3/20 0.36
EGFR P00533 3/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4581973 0.89 DYRK1A (0.41) DYRK1AIMPDH2ALDH1A1GAAMAPT
SCHEMBL14252659 0.86 SRC (0.46) DYRK1AIMPDH2ALDH1A1GAAMAPT
SCHEMBL4581571 0.83 ALDH1A1 (0.41) DYRK1AALDH1A1GAAMAPTKMT2A
SCHEMBL4580452 0.80 MAPK9 (0.45) DYRK1AALDH1A1GAATSHRMAPT
SCHEMBL4581874 0.71 SRC (0.42) DYRK1AIMPDH2ALDH1A1SRCGAK
SCHEMBL108260 0.70 ALDH1A1 (0.42) ALDH1A1GAATSHRMAPTTDP1
SCHEMBL4581125 0.70 SRC (0.41) DYRK1AALDH1A1MEN1KMT2ASRC
SCHEMBL4580323 0.69 MAPK9 (0.45) DYRK1AALDH1A1KDM4EMEN1LMNA
SCHEMBL5162466 0.68 POLB (0.44) ALDH1A1GAATSHRTDP1KDM4E
SCHEMBL4582113 0.67 TBK1 (0.42) DYRK1AIMPDH2ALDH1A1MEN1KMT2A

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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 DYRK1A 2145/4885IMPDH2 3665/4885ALDH1A1 767/4885

“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.