SCHEMBL2229966

SCHEMBL2229966

CC(C)(C#N)c1nc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 1/20 0.45
RET P07949 2/20 0.41
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.41
RAB9A P51151 2/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
ALPL P05186 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MYC P01106 2/20 0.38
WDR5 P61964 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RPA1 P27694 1/20 0.37
AOC3 Q16853 2/20 0.36
ERBB2 P04626 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL2222466 0.85 AOC3 (0.39) NR1H2NR1H3MYCWDR5AOC3
SCHEMBL2225604 0.84 NR1H2 (0.47) NR1H2NR1H3RAB9AS1PR1S1PR3
SCHEMBL2227142 0.76 NR1H2 (0.45) NR1H2NR1H3RETEGFRKDR
SCHEMBL4859334 0.70 NR1H2 (0.56) NR1H2NR1H3RETEGFRKDR
SCHEMBL2227534 0.69 RET (0.57) NR1H2NR1H3RETEGFRKDR
SCHEMBL11187134 0.68 NR1H2 (0.86) NR1H2NR1H3RETEGFRKDR
SCHEMBL2228103 0.67 RAB9A (0.49) EGFRRAB9ANPC1
SCHEMBL1528410 0.66 NR1H2 (0.56) NR1H2NR1H3RETEGFRKDR
SCHEMBL7200528 0.66 NR1H2 (0.56) NR1H2NR1H3RETEGFRKDR
SCHEMBL669494 0.65 NR1H2 (0.55) NR1H2NR1H3RAB9AS1PR1S1PR3

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 14 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
CN-103221047-A Compounds and methods TEMPERO PHARMACEUTICALS INC 2013-07-24 CN 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 NR1H2 106/4885NR1H3 56/4885RET 2601/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY NR1H2 106/4885NR1H3 56/4885RET 2601/4885

“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.