SCHEMBL10030440

SCHEMBL10030440

COC(=O)c1ccc2c(C#N)cc(F)c(-c3ccncc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
BLM P54132 1/20 0.39
WRN Q14191 1/20 0.39
CSNK2A1 P68400 2/20 0.38
HIPK2 Q9H2X6 1/20 0.38
PARP1 P09874 1/20 0.38
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
ALOX5 P09917 1/20 0.38
GCGR P47871 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NEK1 Q96PY6 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
MAP2K4 P45985 1/20 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
SCHEMBL10030441 0.86 HIPK2 (0.41) BLMWRNHIPK2MAPK14GCGR
SCHEMBL10030417 0.83 PARP1 (0.40) PARP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10030467 0.81 HTR5A (0.48) HIPK2
SCHEMBL10030414 0.79 LCK (0.46) PARP1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9102282 0.74 HTR5A (0.48) CSNK2A1PARP1CYP1A2CYP3A4CYP2C9
SCHEMBL10063843 0.73 CYP11B1 (0.41) CSNK2A1HIPK2PARP1CYP1A2CYP3A4
SCHEMBL366584 0.72 CA1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1275177 0.72 TRPA1 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL14012579 0.72 CA1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL30961881 0.72 CA1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 US disclosed
US-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A DYRK1A 3397/4885BLM 4405/4885WRN 3300/4885

“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.