SCHEMBL3767439

SCHEMBL3767439

Cc1cc2nccn2c(C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.36
ALDH1A1 P00352 7/20 0.36
HPGD P15428 5/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
PIK3CG P48736 1/20 0.35
HSD17B10 Q99714 4/20 0.34
RECQL P46063 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FLT1 P17948 1/20 0.34
CDK8 P49336 1/20 0.34
CDK9 P50750 1/20 0.34
LIMK1 P53667 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL31516271 0.83 KDM4E (0.35) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL17815907 0.76 CDK8 (0.39) FLT1CDK8CDK9LIMK1ROCK1
SCHEMBL3758060 0.73 L3MBTL1 (0.37) FLT1CDK8CDK9LIMK1ROCK1
SCHEMBL16061286 0.72 PIK3CG (0.45) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL21816236 0.70 EGLN2 (0.34) HPGDHSD17B10FLT1CDK8CDK9
SCHEMBL17812872 0.70 FLT1 (0.35) FLT1CDK8CDK9LIMK1ROCK1
SCHEMBL12618988 0.70 PDE4A (0.39) KDM4EALDH1A1HPGDHSD17B10FLT1
Hydrochloric Acid SCHEMBL1795034 0.69 CYP3A4 (0.40) HPGDHSD17B10FLT1CDK8CDK9
SCHEMBL3754494 0.68 ALDH1A1 (0.39) KDM4EALDH1A1GAAFLT1CDK8
SCHEMBL12618998 0.66 PDE4A (0.47) HPGDHSD17B10MEN1KMT2ATSHR

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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 KDM4E 4532/4885ALDH1A1 3358/4885HPGD 768/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 KDM4E 4532/4885ALDH1A1 3358/4885HPGD 768/4885

“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.