SCHEMBL9907391

SCHEMBL9907391

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 4/20 0.45
IP6K3 Q96PC2 4/20 0.45
IP6K2 Q9UHH9 4/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 1/20 0.44
SYK P43405 5/20 0.43
GPBAR1 Q8TDU6 1/20 0.40
TGFB1 P01137 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TOP2A P11388 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
MAPK1 P28482 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
SCHEMBL9909215 0.92 RXRA (0.52) IP6K1IP6K3IP6K2PTGDR2RXRA
SCHEMBL9907389 0.88 SYK (0.43) PTGDR2SYKGPBAR1TOP2ANR2E1
SCHEMBL9907808 0.85 HTR5A (0.45) PTGDR2TGFB1
SCHEMBL9909187 0.80 HTT (0.46) PTGDR2RXRARXRBRXRGGPBAR1
SCHEMBL9907472 0.77 HTR5A (0.44) IP6K1IP6K3IP6K2PTGDR2MEN1
SCHEMBL9907390 0.76 PTGDR2 (0.45) IP6K1IP6K3IP6K2PTGDR2TOP2A
SCHEMBL9909211 0.76 PTGDR2 (0.45) IP6K1IP6K3IP6K2PTGDR2TOP2A
SCHEMBL9909279 0.76 HTR5A (0.44) MAPK1
SCHEMBL9907326 0.76 PIK3CA (0.57) IP6K1IP6K3IP6K2MEN1NPC1
SCHEMBL9909220 0.75 KIF11 (0.50) IP6K1IP6K3IP6K2

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 IP6K1 4169/4885IP6K3 4056/4885IP6K2 3910/4885

“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.