SCHEMBL2227463

SCHEMBL2227463

CC1(C)CN(c2ccc(C#N)cn2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.48
JAK1 P23458 3/20 0.48
TYK2 P29597 3/20 0.48
JAK3 P52333 3/20 0.48
HDAC1 Q13547 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR119 Q8TDV5 1/20 0.43
PANK3 Q9H999 6/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
SMO Q99835 3/20 0.41
PRKCQ Q04759 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL18096330 0.82 JAK2 (0.46) JAK2JAK1TYK2JAK3HDAC1
SCHEMBL30546379 0.78 DPP4 (0.42) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL26120995 0.78 DPP4 (0.42) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL22914763 0.78 KDM4E (0.47) KDM4E
SCHEMBL231983 0.77 KDM4E (0.51) KDM4EALDH1A1L3MBTL1GPR119PANK3
SCHEMBL30390836 0.77 KDM4E (0.51) KDM4EALDH1A1L3MBTL1GPR119PANK3
SCHEMBL21521519 0.77 RET (0.49) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL16478715 0.77 JAK1 (0.53) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL1470337 0.77 EIF2AK4 (0.55) HDAC1KDM4EALDH1A1GPR119SMO
SCHEMBL12683371 0.77 JAK1 (0.53) JAK2JAK1TYK2JAK3KDM4E

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 9 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 disclosed
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
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
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US 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 JAK2 623/4885JAK1 4203/4885TYK2 1990/4885

“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.