SCHEMBL10323936

SCHEMBL10323936

NCCC(=O)Nc1ccc(Cl)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
TERT O14746 2/20 0.56
CYP3A4 P08684 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.45
ESRRA P11474 1/20 0.44
HDAC4 P56524 2/20 0.44
FADS1 O60427 1/20 0.43

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
SCHEMBL1461879 0.87 CYP3A4 (0.65) NPC1RAB9ATERTCYP3A4L3MBTL1
SCHEMBL11691760 0.82 CYP3A4 (0.73) NPC1RAB9ACYP3A4ALDH1A1MEN1
SCHEMBL9427381 0.82 NPC1 (0.64) NPC1RAB9ACYP3A4L3MBTL1ALDH1A1
SCHEMBL10323935 0.81 TERT (0.54) NPC1RAB9ATERTCYP3A4L3MBTL1
SCHEMBL9165842 0.81 NPC1 (0.59) NPC1RAB9ACYP3A4L3MBTL1ALDH1A1
SCHEMBL2889506 0.81 NPC1 (0.59) NPC1RAB9ACYP3A4L3MBTL1ALDH1A1
SCHEMBL6023089 0.81 NPC1 (0.71) NPC1RAB9ACYP3A4ALDH1A1MEN1
SCHEMBL11320899 0.80 KMT2A (0.68) NPC1RAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL3796789 0.78 NPC1 (0.63) NPC1RAB9ACYP3A4L3MBTL1ALDH1A1
SCHEMBL11573244 0.78 ALDH1A1 (0.64) NPC1RAB9ATERTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD NPC1 1780/4885RAB9A 2086/4885TERT 559/4885

“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.