SCHEMBL14973285

SCHEMBL14973285

Cn1ncc(-c2cn(-c3ccccc3)cn2)c1COc1ccc(C(F)(F)F)cc1.N[SH](=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.33
PPARD Q03181 2/20 0.33
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.32
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE10A Q9Y233 3/20 0.32
PDE3B Q13370 2/20 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
SCHEMBL14973286 0.85 CA12 (0.51) CA12CA2CA9
SCHEMBL14973302 0.84 CA12 (0.42) CA12CA2CA9PDE2AAR
SCHEMBL10058991 0.71 PTGS2 (0.40) CA12CA2CA9MEN1KMT2A
SCHEMBL14973124 0.69 CHUK (0.47) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL14972954 0.68 KDM4C (0.47) MRGPRX4PPARDPPARA
SCHEMBL14938300 0.67 MAOB (0.42) RAB9AMAPTHMOX1
SCHEMBL14973212 0.67 CA9 (0.37) CA12CA2CA9PDE4APDE4B
SCHEMBL14972928 0.67 NPC1 (0.47) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL14972968 0.67 HSD17B10 (0.42) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL14972951 0.66 MAOB (0.52) MRGPRX4PPARDMAPTPPARA

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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A MRGPRX4 403/4885SMN1; SMN2 3612/4885NPC1 964/4885

“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.