SCHEMBL10030441

SCHEMBL10030441

N#Cc1cc(F)c(-c2ccncc2)c2cc(C(=O)O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
CSNK2A2 P19784 3/20 0.40
CSNK2B P67870 3/20 0.40
SLC22A12 Q96S37 3/20 0.40
BLM P54132 1/20 0.39
WRN Q14191 1/20 0.39
XDH P47989 1/20 0.38
TOP2A P11388 2/20 0.36
TOP2B Q02880 2/20 0.36
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
TTR P02766 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
SCHEMBL10030440 0.86 DYRK1A (0.39) HIPK2CSNK2A2CSNK2BBLMWRN
SCHEMBL10030467 0.85 HTR5A (0.48) HIPK2
SCHEMBL10030418 0.82 HTR5A (0.38) SLC22A12
SCHEMBL9907485 0.72 HTR5A (0.49) SLC22A12XDH
SCHEMBL30771577 0.70 HIPK2 (0.77) HIPK2CSNK2A2CSNK2B
SCHEMBL20718403 0.70 HIPK2 (0.77) HIPK2CSNK2A2CSNK2B
SCHEMBL10063768 0.70 SLC22A12 (0.45) HIPK2CSNK2A2CSNK2BSLC22A12XDH
SCHEMBL28442922 0.69 HIPK2 (0.75) HIPK2CSNK2A2CSNK2B
SCHEMBL10063756 0.68 SLC22A12 (0.48) CSNK2A2CSNK2BSLC22A12
SCHEMBL393075 0.68 S1PR3 (0.51)

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 HIPK2 2763/4885IP6K1 4417/4885IP6K3 4599/4885

“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.