SCHEMBL30824580

SCHEMBL30824580

CN[C@H](c1cccc(F)c1)c1nccn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
FFAR1 O14842 2/20 0.37
VDR P11473 1/20 0.37
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P4HB P07237 1/20 0.34
RPS6KB1 P23443 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
SCHEMBL24581976 1.00 KDM4E (0.46) KDM4EFFAR1VDROPRK1KMT2A
SCHEMBL12790220 0.83 KDM4E (0.44) KDM4EFFAR1KMT2AL3MBTL1HDAC4
SCHEMBL12847001 0.80 SLC6A9 (0.44) KDM4EFFAR1KMT2AALOX12
SCHEMBL30824561 0.80 KDM4E (0.48) KDM4EFFAR1KMT2ACYP2D6ALDH1A1
SCHEMBL24581974 0.80 KDM4E (0.48) KDM4EFFAR1KMT2ACYP2D6ALDH1A1
SCHEMBL24017128 0.66 HDAC4 (0.47) SLC6A2SLC6A4HDAC4HDAC7HDAC5
SCHEMBL24017037 0.66 HDAC4 (0.47) SLC6A2SLC6A4HDAC4HDAC7HDAC5
SCHEMBL12320076 0.65 KDR (0.47) KDM4EKMT2AALDH1A1HSD17B10HDAC4
SCHEMBL12874998 0.65 KDM4E (0.50) KDM4EFFAR1OPRK1KMT2ACYP2D6
SCHEMBL696487 0.65 KDM4E (0.50) KDM4EFFAR1OPRK1KMT2ACYP2D6

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-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 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-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT KDM4E 3301/4885FFAR1 1460/4885VDR 263/4885

“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.