SCHEMBL9907703

SCHEMBL9907703

COC(=O)c1ccc2c(F)cnc(-c3ccc(F)cc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.54
HTR5A P47898 5/20 0.47
GABRA5 P31644 3/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPK13 O15264 1/20 0.44
ALOX5 P09917 1/20 0.44
GCGR P47871 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
PARP1 P09874 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL9907704 0.90 CSNK2A2 (0.54) MAP2K4HTR5AGABRA5KDM4EMAPT
SCHEMBL9907701 0.90 HTR5A (0.47) MAP2K4HTR5AGABRA5HSP90AA1MEN1
SCHEMBL9908022 0.88 MAP2K4 (0.52) MAP2K4HTR5AGABRA5KDM4EMAPT
SCHEMBL9907518 0.87 MAP2K4 (0.44) MAP2K4HTR5AGABRA5MAPK1CSNK2A2
SCHEMBL9909264 0.87 EGLN2 (0.45) MAP2K4HTR5AMAPK1CSNK2A2CSNK2B
SCHEMBL9907503 0.85 HTR5A (0.53) MAP2K4HTR5AKDM4EMAPTHPGD
SCHEMBL12874614 0.85 HTR5A (0.54) MAP2K4HTR5AMAPTALDH1A1HPGD
SCHEMBL9104476 0.85 HTR5A (0.51) MAP2K4HTR5AKDM4EMAPTALDH1A1
SCHEMBL9907712 0.84 CSNK2A2 (0.52) MAP2K4HTR5AHSP90AA1MAPK1CSNK2A2
SCHEMBL9907752 0.83 HTR5A (0.51) MAP2K4HTR5AKDM4EMAPTHPGD

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 MAP2K4 3941/4885HTR5A 1/4885GABRA5 94/4885

“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.