SCHEMBL1629987

SCHEMBL1629987

NC(=O)C(c1cccnc1)c1ccc(-c2ccccc2C=O)nc1NCCc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
JAK3 P52333 1/20 0.36
HIF1A Q16665 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NPY1R P25929 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 2/20 0.32
PIK3CD O00329 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31

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
SCHEMBL1630505 0.93 GBA1 (0.38) GBA1JAK3HIF1AF2PRSS1
SCHEMBL1629838 0.89 GBA1 (0.40) GBA1JAK3HIF1AF2PRSS1
SCHEMBL1631782 0.88 SMN1; SMN2 (0.43) GBA1JAK3F2NPC1RAB9A
SCHEMBL1632209 0.88 ALDH1A1 (0.40) GBA1JAK3HIF1AF2PRSS1
SCHEMBL1631308 0.88 GBA1 (0.39) GBA1JAK3F2PRSS1NPC1
SCHEMBL1630995 0.86 GBA1 (0.48) GBA1JAK3HIF1ANPC1RAB9A
SCHEMBL1632665 0.86 PGK1 (0.41) GBA1JAK3F2NPC1RAB9A
SCHEMBL1630502 0.86 ADORA2A (0.41) GBA1JAK3HIF1AF2NPC1
SCHEMBL1631138 0.86 PIK3CD (0.39) GBA1JAK3F2PRSS1RAB9A
SCHEMBL1629670 0.85 GBA1 (0.37) GBA1JAK3F2PRSS1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GBA1 4031/4885JAK3 2915/4885HIF1A 3497/4885

“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.