SCHEMBL14934977

SCHEMBL14934977

Nc1ncc(C2CC2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAP3K12 Q12852 6/20 0.37
MAPK1 P28482 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
S1PR3 Q99500 1/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL29830941 1.00 KDM4E (0.38) KDM4EMAP3K12MAPK1CHRNB2CHRNA3
SCHEMBL7906713 0.79 KDM4E (0.40) KDM4ECHRNB2CHRNA3S1PR3
SCHEMBL2250114 0.76 HTT (0.52) KDM4EMAPK1HRH1HRH4HRH3
SCHEMBL20522623 0.76 KDM4E (0.45) KDM4ES1PR3
SCHEMBL21712544 0.76 KDM4E (0.38) KDM4EMAPK1HRH1HRH4HRH3
SCHEMBL16908273 0.76 KDM4E (0.38) KDM4EMAPK1S1PR3HRH1HRH4
SCHEMBL16139570 0.76 CHRNB2 (0.41) KDM4ECHRNB2S1PR3HRH1HRH4
SCHEMBL14934980 0.74 MAP3K12 (0.37) MAP3K12
SCHEMBL3603993 0.73
SCHEMBL21446938 0.73 S1PR3 (0.38) KDM4ECHRNB2S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 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
US-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-06-20 US disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
EP-4308564-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed
CN-117355523-A Polycyclic inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
WO-2022197789-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
WO-2013064521-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 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 (3 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-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 KDM4E 794/4885MAP3K12 472/4885MAPK1 2362/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 KDM4E 796/4885MAP3K12 701/4885MAPK1 3772/4885
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KDM4E 838/4885MAP3K12 450/4885MAPK1 2974/4885

“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.