SCHEMBL2278129

SCHEMBL2278129

CC(C#N)c1cn(C)c(-c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ADORA2B P29275 2/20 0.34
ADORA2A P29274 1/20 0.34
PDE10A Q9Y233 3/20 0.34
CHEK1 O14757 1/20 0.33
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
GRK5 P34947 1/20 0.33
KDR P35968 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
SCHEMBL25147202 0.82 MC4R (0.42) PDE3BPDE3ANPC1RAB9ANR1H2
SCHEMBL6976337 0.75 HPGD (0.38) PDE3BPDE3ANPC1RAB9ANR1H2
SCHEMBL2224580 0.75 TAAR1 (0.42) PDE3BPDE3ANPC1RAB9ANR1H2
SCHEMBL10654721 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EGAAADORA2ASMN1; SMN2
SCHEMBL27447718 0.73 BRD4 (0.47) PDE3BPDE3ANPC1RAB9ANR1H2
SCHEMBL2229271 0.73 HPGDS (0.46) PDE3BPDE3ANPC1RAB9ANR1H2
SCHEMBL10654806 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EGAAGSK3AGSK3B
SCHEMBL10099635 0.70 NR1H3 (0.47) PDE3BPDE3ANPC1RAB9ANR1H2
SCHEMBL2227911 0.70 PDE10A (0.45) PDE3BPDE3ANPC1RAB9ANR1H2
SCHEMBL8666901 0.69 PTGS2 (0.42) PDE3BPDE3ANR1H2NR1H3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY PDE3B 1169/4885PDE3A 1107/4885NPC1 585/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY PDE3B 1169/4885PDE3A 1107/4885NPC1 585/4885

“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.