SCHEMBL9907702

SCHEMBL9907702

COC(=O)c1ccc2c(F)cnc(-c3ccccc3C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.53
KIF11 P52732 1/20 0.40
DYRK1A Q13627 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IL2 P60568 2/20 0.40
PDK2 Q15119 2/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL9907636 0.90 HTR5A (0.64) HTR5AKIF11NPC1RAB9APDK2
SCHEMBL9907752 0.87 HTR5A (0.51) HTR5ANPC1RAB9APARP1
SCHEMBL9907637 0.87 HTR5A (0.66) HTR5A
SCHEMBL9907711 0.86 HTR5A (0.56) HTR5ACSNK2A2CSNK2B
SCHEMBL9907755 0.86 HTR5A (0.53) HTR5AKIF11NPC1RAB9A
SCHEMBL9907758 0.86 HTR5A (0.43) HTR5AKIF11DYRK1ACSNK2A2CSNK2B
SCHEMBL9907754 0.85 HTR5A (0.47) HTR5ACSNK2A2CSNK2B
SCHEMBL9907635 0.85 HTR5A (0.59) HTR5AIL2
SCHEMBL9907701 0.84 HTR5A (0.47) HTR5AKIF11NPC1RAB9A
SCHEMBL9907724 0.84 HTR5A (0.51) HTR5ANPC1RAB9APDK2

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E HTR5A 1/4885KIF11 3425/4885DYRK1A 3985/4885

“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.