SCHEMBL9907701

SCHEMBL9907701

COC(=O)c1ccc2c(F)cnc(-c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 6/20 0.47
HSP90AA1 P07900 1/20 0.46
MAP2K4 P45985 1/20 0.45
NEK1 Q96PY6 1/20 0.45
AXL P30530 1/20 0.45
SGK1 O00141 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GABRA5 P31644 2/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
KIF11 P52732 1/20 0.43
MAPK1 P28482 1/20 0.42
DHODH Q02127 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EGFR P00533 1/20 0.42
CYP19A1 P11511 1/20 0.41

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
SCHEMBL9907703 0.90 MAP2K4 (0.54) HTR5AHSP90AA1MAP2K4MEN1KMT2A
SCHEMBL9907704 0.88 CSNK2A2 (0.54) HTR5AMAP2K4MEN1KMT2AGABRA5
SCHEMBL9907636 0.86 HTR5A (0.64) HTR5AKMT2AKIF11NPC1RAB9A
SCHEMBL9907710 0.85 HTR5A (0.52) HTR5AHSP90AA1MAP2K4AXLNPC1
SCHEMBL9907706 0.85 MAP2K4 (0.45) HTR5AMAP2K4NEK1AXLSGK1
SCHEMBL9907517 0.85 HTR5A (0.63) HTR5AMAP2K4KMT2AKIF11NPC1
SCHEMBL9909264 0.84 EGLN2 (0.45) HTR5AMAP2K4MAPK1CYP11B1CYP11B2
SCHEMBL9907518 0.84 MAP2K4 (0.44) HTR5AMAP2K4GABRA5MAPK1CYP19A1
SCHEMBL9907702 0.84 HTR5A (0.53) HTR5AKIF11NPC1RAB9A
SCHEMBL30710238 0.83 MAPK1 (0.46) NEK1AXLSGK1CAMKK2MEN1

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 5 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
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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 1/4885HSP90AA1 3275/4885MAP2K4 3941/4885

“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.