SCHEMBL23552159

SCHEMBL23552159

Fc1cc(Br)c2ncc(CCc3ccccc3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.36
PLAU P00749 1/20 0.35
EGFR P00533 1/20 0.35
KMT2A Q03164 1/20 0.34
PIN1 Q13526 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDR P35968 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GRM2 Q14416 1/20 0.33
CYP19A1 P11511 1/20 0.33
GPR68 Q15743 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TBK1 Q9UHD2 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
SCHEMBL19782773 0.84 NOS1 (0.38) KCNH2NPC1PLAUKDM4ETDP1
SCHEMBL19775915 0.78 PDGFRB (0.48) NPC1KMT2A
SCHEMBL29481782 0.78 PDGFRB (0.48) NPC1KMT2A
SCHEMBL13045274 0.71 KCNH2 (0.47) KCNH2PLAUPDE10ATDP1
SCHEMBL28532450 0.68 PDGFRB (0.53) KCNH2NPC1KMT2AKDM4E
SCHEMBL19776263 0.68 CA12 (0.34) GRM2
SCHEMBL28041238 0.66 MAOA (0.46) KCNH2CYP11B1TDP1
SCHEMBL3713340 0.66 BACE1 (0.41) KDM4EKDRGRM2
SCHEMBL2582442 0.66 CCR1 (0.46) NPC1KMT2AKDM4ETDP1
SCHEMBL31276857 0.66 CCR1 (0.46) NPC1KMT2AKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 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-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R KCNH2 2817/4885NPC1 1939/4885PLAU 147/4885

“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.