SCHEMBL19298013

SCHEMBL19298013

C=NCc1cc(C)n(-c2ccc(Cl)cc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
USP14 P54578 1/20 0.41
USP7 Q93009 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SHMT2 P34897 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL11257155 0.75 POLB (0.51) NOTUMPOLBMAPK1ALDH1A1SMN1; SMN2
Clopirac SCHEMBL24768 0.74 NOTUM (0.61) NOTUMPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL12608916 0.74 NOTUM (0.57) NOTUMPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL11377279 0.73 NOTUM (0.56) NOTUMPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2760337 0.72 POLB (0.60) NOTUMPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL18431149 0.70 ALDH1A1 (0.66) NOTUMPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL22454429 0.70 ALDH1A1 (0.66) NOTUMPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL31380195 0.69 POLB (0.56) NOTUMPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL16752445 0.67 NOTUM (0.49) NOTUMPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2739319 0.67 POLB (0.53) NOTUMPOLBMAPK1ALDH1A1SMN1; SMN2

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-20170247355-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2017-08-31 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-20170247355-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 NOTUM 3292/4885POLB 2527/4885MAPK1 3492/4885

“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.