SCHEMBL9907411

SCHEMBL9907411

Cc1cc(-c2ccnc3ccc(C(=O)O)cc23)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.45
TLR8 Q9NR97 3/20 0.43
IP6K1 Q92551 3/20 0.41
IP6K3 Q96PC2 3/20 0.41
IP6K2 Q9UHH9 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
CAMKK1 Q8N5S9 2/20 0.41
CAMKK2 Q96RR4 2/20 0.41
ACVR1 Q04771 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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
SCHEMBL9907412 0.90 KMO (0.50) TLR8IP6K1IP6K3IP6K2MEN1
SCHEMBL9907408 0.87 ALOX15 (0.45) TLR8KDM4EALDH1A1GAAPIK3CA
SCHEMBL9907819 0.84 HTR5A (0.53)
SCHEMBL9909223 0.83 KMO (0.52) IP6K1IP6K3IP6K2MAPKAPK2CAMKK1
SCHEMBL9909220 0.81 KIF11 (0.50) IP6K1IP6K3IP6K2MAPKAPK2CAMKK1
SCHEMBL9907472 0.80 HTR5A (0.44) IP6K1IP6K3IP6K2MEN1NPC1
SCHEMBL9907403 0.79 JAK2 (0.45) IP6K1IP6K3IP6K2MEN1NPC1
SCHEMBL9907326 0.78 PIK3CA (0.57) IP6K1IP6K3IP6K2MEN1NPC1
SCHEMBL9907348 0.78 MAPKAPK2 (0.44) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL9907394 0.78 CSNK2A2 (0.43) IP6K1IP6K3IP6K2MEN1NPC1

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 MPL 4857/4885TLR8 2270/4885IP6K1 4169/4885

“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.