SCHEMBL9907403

SCHEMBL9907403

Cc1ccc(-c2ccnc3ccc(C(=O)O)cc23)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
GRM2 Q14416 1/20 0.44
HDAC1 Q13547 3/20 0.44
KDM1A O60341 2/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDM4C Q9H3R0 2/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
IP6K1 Q92551 3/20 0.42
IP6K3 Q96PC2 3/20 0.42
IP6K2 Q9UHH9 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42

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
SCHEMBL9907399 0.86 ALOX15 (0.46) GRM2HDAC1KDM1AHDAC2HDAC11
SCHEMBL9907472 0.86 HTR5A (0.44) KDM4CIP6K1IP6K3IP6K2MEN1
SCHEMBL9907352 0.85 KMO (0.51) GRM2KDM4CKDM5AKDM5BMRGPRX4
SCHEMBL9907816 0.83 HTR5A (0.53) GRM2
SCHEMBL9909211 0.82 PTGDR2 (0.45) KDM4CIP6K1IP6K3IP6K2PTGDR2
SCHEMBL9907492 0.81 PTGDR2 (0.42) JAK2GRM2HDAC1KDM1AHDAC2
SCHEMBL9907370 0.80 MAPKAPK2 (0.40) KDM4CKDM5AKDM5BPOLBMRGPRX4
SCHEMBL9907412 0.79 KMO (0.50) KDM5AKDM5BIP6K1IP6K3IP6K2
SCHEMBL9907394 0.79 CSNK2A2 (0.43) KDM4CKDM5AKDM5BIP6K1IP6K3
SCHEMBL9907411 0.79 MPL (0.45) 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 JAK2 4583/4885GRM2 109/4885HDAC1 301/4885

“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.