SCHEMBL9907472

SCHEMBL9907472

Cc1cc(F)c(-c2ccnc3ccc(C(=O)O)cc23)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.44
IP6K1 Q92551 3/20 0.43
IP6K3 Q96PC2 3/20 0.43
IP6K2 Q9UHH9 3/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
TGFBR1 P36897 2/20 0.39
GAK O14976 1/20 0.39
RIPK2 O43353 1/20 0.39
MAP4K4 O95819 1/20 0.39
KDR P35968 1/20 0.39
ACVR1B P36896 1/20 0.39
TGFBR2 P37173 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39

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
SCHEMBL9108194 0.89 HTR5A (0.48) HTR5AIP6K1IP6K3IP6K2PTGDR2
SCHEMBL9907348 0.88 MAPKAPK2 (0.44) HTR5APTGDR2POLBMEN1NPC1
Formaldehyde SCHEMBL9108251 0.87 HTR5A (0.46) HTR5AIP6K1IP6K3IP6K2PTGDR2
SCHEMBL9909165 0.86 LMNA (0.49) HTR5APTGDR2NPC1RAB9ATGFBR1
SCHEMBL9907469 0.86 TGFBR1 (0.48) HTR5APTGDR2MEN1KMT2ATDP1
SCHEMBL9907403 0.86 JAK2 (0.45) IP6K1IP6K3IP6K2PTGDR2POLB
SCHEMBL9907462 0.85 CSNK2A2 (0.43) HTR5AIP6K1IP6K3IP6K2PTGDR2
SCHEMBL9907840 0.83 HTR5A (0.63) HTR5APLAU
SCHEMBL9907351 0.81 HTR5A (0.42) HTR5APOLBTGFBR1GAKRIPK2
SCHEMBL9907471 0.81 PTGDR2 (0.43) HTR5APTGDR2DYRK1A

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-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

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 1/4885IP6K1 4169/4885IP6K3 4056/4885

“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.