SCHEMBL1630587

SCHEMBL1630587

COCCCN(C=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CCNT1 O60563 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA2A P29274 1/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GBA1 P04062 1/20 0.31
LMNA P02545 2/20 0.31
GPR84 Q9NQS5 1/20 0.31
BCHE P06276 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL1630812 0.95 NPC1 (0.36) RAB9ANPC1CCNT1KDM4EALDH1A1
SCHEMBL1630640 0.90 CSNK2A2 (0.33) RAB9ANPC1CCNT1KDM4EADORA2A
SCHEMBL1632805 0.89 TAAR1 (0.39) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL1632239 0.88 MAPT (0.33) RAB9ANPC1CCNT1KDM4EALDH1A1
SCHEMBL1630613 0.88 NPC1 (0.35) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL1633075 0.86 ADORA2A (0.34) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL1630261 0.86 CCNT1 (0.37) CCNT1ADORA2ACTSKKCNH2
SCHEMBL1631594 0.85 GPR84 (0.33) RAB9ANPC1ADORA2AMAPTGBA1
SCHEMBL1630790 0.85 GBA1 (0.35) RAB9ANPC1KDM4EALDH1A1TDP1
SCHEMBL1629863 0.85 OPRM1 (0.34) KDM4EALDH1A1ADORA2AMAPTHSD17B10

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 RAB9A 1811/4885NPC1 4711/4885CCNT1 3592/4885

“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.