SCHEMBL4580429

SCHEMBL4580429

COCCOc1cc(Nc2ccc(OC)c(OC)c2)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.51
EGFR P00533 3/20 0.51
ERBB2 P04626 3/20 0.51
PRKCQ Q04759 3/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
IMPDH2 P12268 1/20 0.45
TSHR P16473 1/20 0.44
AR P10275 4/20 0.44
ALDH1A1 P00352 1/20 0.44
MAP2K1 Q02750 1/20 0.41

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
SCHEMBL8432254 0.75 AR (0.47) CYP2C19TSHRARALDH1A1
SCHEMBL4581557 0.75 SYK (0.50) ALDH1A1
SCHEMBL6154479 0.74 IMPDH2 (0.60) SRCEGFRERBB2PRKCQIMPDH2
SCHEMBL6431488 0.74 KDM4E (0.56) SRCEGFRERBB2TSHRAR
SCHEMBL8436504 0.74 EGFR (0.47) SRCEGFRERBB2AR
SCHEMBL17631638 0.74 AR (0.52) SRCEGFRERBB2AR
SCHEMBL15364954 0.72 AR (0.49) SRCAR
SCHEMBL15337643 0.72 AR (0.47) CYP2C19ARALDH1A1
SCHEMBL5648357 0.72 ICMT (0.53) CYP2C19ARALDH1A1
SCHEMBL6157998 0.71 IMPDH2 (0.51) SRCEGFRERBB2PRKCQIMPDH2

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 6 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
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 SRC 1098/4885EGFR 906/4885ERBB2 456/4885

“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.