SCHEMBL6464483

SCHEMBL6464483

CNC(=O)c1cnn(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NTRK1 P04629 1/20 0.48
NTRK2 Q16620 1/20 0.48
ADAMTS7 Q9UKP4 1/20 0.47
P2RX7 Q99572 2/20 0.46
MALT1 Q9UDY8 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BRD4 O60885 2/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ELOVL1 Q9BW60 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
LSS P48449 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1752087 0.81 P2RX7 (0.53) HDAC1NPC1RAB9ANTRK1NTRK2
SCHEMBL32674134 0.81 MAPT (0.59) HDAC1NPC1RAB9ANTRK1NTRK2
SCHEMBL21338830 0.81 HDAC1 (0.45) HDAC1NPC1RAB9ANTRK1NTRK2
SCHEMBL6311452 0.79 HDAC1 (0.51) HDAC1NPC1RAB9ANTRK1NTRK2
SCHEMBL6399279 0.78 KDM4E (0.56) HDAC1NPC1RAB9ANTRK1NTRK2
SCHEMBL13543694 0.77 P2RX7 (0.46) HDAC1NPC1RAB9ANTRK1NTRK2
SCHEMBL28090836 0.77 HDAC1 (0.51) HDAC1NPC1RAB9ANTRK1NTRK2
SCHEMBL23367473 0.74 HDAC1 (0.49) HDAC1NPC1RAB9ANTRK1NTRK2
SCHEMBL23354891 0.74 ALDH1A1 (0.52) NPC1RAB9AP2RX7MEN1KMT2A
SCHEMBL20111441 0.74 NPC1 (0.52) HDAC1NPC1RAB9ANTRK1NTRK2

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 HDAC1 3559/4885NPC1 778/4885RAB9A 1648/4885

“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.