SCHEMBL3149776

SCHEMBL3149776

Nc1ccc(CNC(=O)[CH]Cc2cccc3ccccc23)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
HDAC1 Q13547 4/20 0.41
MTNR1A P48039 1/20 0.40
MASP2 O00187 1/20 0.40
RPS6KB1 P23443 2/20 0.40
ROS1 P08922 1/20 0.40
HDAC3 O15379 2/20 0.40
KMT2A Q03164 2/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3144560 0.86 NAMPT (0.40) NAMPTHDAC1MASP2MAPTGABRP
SCHEMBL3140045 0.84 NAMPT (0.43) NAMPTHDAC1MASP2RPS6KB1AURKA
SCHEMBL3154056 0.81 AURKA (0.45) HDAC1MTNR1ARPS6KB1HDAC3KMT2A
SCHEMBL3146165 0.81 NAMPT (0.40) NAMPTHDAC1MASP2RPS6KB1AURKA
SCHEMBL3149495 0.80 NAMPT (0.40) NAMPTHDAC1MASP2RPS6KB1AURKA
SCHEMBL3144699 0.80 NAMPT (0.39) NAMPTHDAC1MASP2RPS6KB1AURKA
SCHEMBL3144720 0.80 HDAC1 (0.39) NAMPTHDAC1MASP2KMT2AGABRP
SCHEMBL3155161 0.80 NAMPT (0.40) NAMPTHDAC1MASP2RPS6KB1AURKA
SCHEMBL3157537 0.80 MTNR1A (0.44) MTNR1ARPS6KB1KMT2AAURKAAURKB
SCHEMBL3146169 0.78 MASP2 (0.48) NAMPTMASP2

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 NAMPT 1657/4885HDAC1 1534/4885MTNR1A 180/4885

“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.