SCHEMBL24737348

SCHEMBL24737348

CC(C)c1ccc2nc(CN)cn2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
TP53 P04637 2/20 0.40
CYP2C19 P33261 1/20 0.38
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
METTL3 Q86U44 4/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
MAPT P10636 2/20 0.35
APP P05067 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
SCN4A P35499 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL22528623 0.87 METTL3 (0.47) KDM4ETP53CYP2C19NPC1RAB9A
SCHEMBL29304400 0.85 KDM4E (0.41) KDM4ETP53CYP2C19NPC1RAB9A
SCHEMBL29302392 0.83 KDM4E (0.43) KDM4ETP53CYP2C19NPC1RAB9A
SCHEMBL23530863 0.79 NPC1 (0.50) KDM4ETP53NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL22499393 0.77 NPC1 (0.49) KDM4ETP53NPC1RAB9ASMN1; SMN2
SCHEMBL29302393 0.76 KDM4E (0.44) KDM4ETP53CYP2C19NPC1RAB9A
SCHEMBL12729862 0.75 MCHR1 (0.39) KDM4ETP53NPC1RAB9ASMN1; SMN2
SCHEMBL798511 0.75 MCHR1 (0.45) KDM4ETP53CYP2C19NPC1RAB9A
SCHEMBL22528636 0.75 METTL3 (0.55) KDM4EMETTL3ALDH1A1
SCHEMBL22529082 0.74 GRM5 (0.47) KDM4ETP53NPC1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 KDM4E 796/4885TP53 4644/4885CYP2C19 609/4885

“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.