SCHEMBL2225828

SCHEMBL2225828

CC1CN(c2ccc(C#N)cn2)CCN1C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.45
PARP2 Q9UGN5 3/20 0.45
CHRM1 P11229 1/20 0.44
CHRM4 P08173 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
GRM5 P41594 1/20 0.42
HDAC8 Q9BY41 6/20 0.42
HDAC6 Q9UBN7 6/20 0.42
TIPARP Q7Z3E1 3/20 0.41
KRAS P01116 2/20 0.40
HDAC1 Q13547 2/20 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
SCHEMBL2224823 0.90 GRM5 (0.42) GRM5HDAC8HDAC6TIPARPHDAC1
SCHEMBL2225164 0.90 PDK1 (0.44) CHRM1PDK1PDK2GRM5HDAC8
SCHEMBL2227438 0.89 GRM5 (0.41) PARP1PARP2CHRM4PDK1PDK2
SCHEMBL13838109 0.89 GRM5 (0.46) PARP1PARP2CHRM1CHRM4PDK1
SCHEMBL2226665 0.86 HDAC4 (0.52) PARP1HDAC8HDAC6TIPARP
SCHEMBL2224667 0.86 HDAC6 (0.47) PDK1PDK2GRM5HDAC8HDAC6
SCHEMBL2224359 0.85 PDK1 (0.49) CHRM1PDK1PDK2GRM5HDAC8
SCHEMBL2226039 0.85 CHRM1 (0.44) CHRM1GRM5HDAC8HDAC6TIPARP
SCHEMBL2226710 0.85 HDAC6 (0.48) PARP1CHRM1PDK1PDK2HDAC8
SCHEMBL2225124 0.83 HDAC6 (0.50) PARP1HDAC8HDAC6TIPARP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US claimed
WO-2013009827-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO claimed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US claimed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
WO-2013009827-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088192-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 (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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B PARP1 448/4885PARP2 274/4885CHRM1 459/4885

“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.