SCHEMBL21714635

SCHEMBL21714635

CC1C=C(c2c[nH]c3ncccc23)CCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
DYRK1A Q13627 5/20 0.47
CDK2 P24941 5/20 0.47
PIM1 P11309 4/20 0.47
CHEK1 O14757 3/20 0.47
MAP4K4 O95819 3/20 0.47
PRKACA P17612 3/20 0.47
CLK2 P49760 3/20 0.47
GSK3B P49841 3/20 0.47
CDK5 Q00535 3/20 0.47
PRKAA1 Q13131 3/20 0.47
ROCK1 Q13464 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
CHEK2 O96017 2/20 0.47
PRKCG P05129 2/20 0.47
CDK1 P06493 2/20 0.47
FGFR1 P11362 2/20 0.47
RPS6KB1 P23443 2/20 0.47

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
SCHEMBL20111756 0.86 HTR2A (0.46) HTR2AHTR2CHTR2BDYRK1ACDK2
SCHEMBL21714415 0.78 DYRK1A (0.49) HTR2AHTR2CHTR2BDYRK1ACDK2
SCHEMBL2265068 0.76 CHEK1 (0.67) HTR2AHTR2CHTR2BDYRK1ACDK2
SCHEMBL27812992 0.74 CAMKK2 (0.52) HTR2AHTR2CHTR2BDYRK1ACDK2
SCHEMBL17712408 0.73 SMO (0.42)
SCHEMBL18324729 0.73 CHEK1 (0.63) DYRK1ACDK2PIM1CHEK1MAP4K4
SCHEMBL26773930 0.72 HTR2A (0.65) HTR2AHTR2CHTR2BDYRK1ACDK2
SCHEMBL26773932 0.72 HTR2A (0.65) HTR2AHTR2CHTR2BDYRK1ACDK2
SCHEMBL26773936 0.72 HTR2A (0.65) HTR2AHTR2CHTR2BDYRK1ACDK2
SCHEMBL25428221 0.72 HTR2A (0.43) HTR2AHTR2CHTR2BDYRK1ACDK2

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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 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 (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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO HTR2A 3528/4885HTR2C 3941/4885HTR2B 3805/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO HTR2A 3528/4885HTR2C 3943/4885HTR2B 3768/4885

“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.