SCHEMBL2234704

SCHEMBL2234704

COC(=O)CCNc1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.60
LMNA P02545 2/20 0.59
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 5/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 3/20 0.49
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL2234808 0.86 KAT2B (0.63) KAT2BLMNAKMT2AALDH1A1MAPT
SCHEMBL110398 0.81 KAT2B (0.68) KAT2BLMNAKMT2AALDH1A1MAPT
SCHEMBL10489329 0.80 KAT2B (0.69) KAT2BLMNAKMT2AALDH1A1MAPT
SCHEMBL9404796 0.80 MAPT (0.63) LMNAKMT2AALDH1A1MAPTKDM4E
SCHEMBL18024805 0.80 RECQL (0.65) KAT2BLMNAKMT2AALDH1A1MAPT
SCHEMBL6253809 0.79 MAPT (0.72) LMNAKMT2AALDH1A1MAPTKDM4E
SCHEMBL8249825 0.79 KAT2B (0.81) KAT2BLMNAKMT2AALDH1A1MAPT
SCHEMBL623563 0.77 MEN1 (0.65) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL10489384 0.77 KAT2B (0.74) KAT2BLMNAKMT2AALDH1A1MAPT
SCHEMBL5982382 0.76 KAT2B (0.64) KAT2BLMNAKMT2AALDH1A1MAPT

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
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
EP-2536722-B1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM SA (CH) 2014-04-16 EP disclosed
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2013-06-06 US disclosed
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2013-06-06 US disclosed
US-8440679-B2 Bicyclic compounds and their uses as dual c-SRC / JAK inhibitors DEBIOPHARM S.A. (CH) 2013-05-14 US disclosed
US-8440679-B2 Bicyclic compounds and their uses as dual c-SRC / JAK inhibitors DEBIOPHARM S.A. (CH) 2013-05-14 US disclosed
US-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LTD. (IN) 2013-01-10 US disclosed
US-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LTD. (IN) 2013-01-10 US disclosed
CN-102858770-A Bicyclic Compounds And Their Uses As Dual C-src / Jak Inhibitors DEBIOPHARM SA 2013-01-02 CN disclosed
EP-2536722-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS Debiopharm S.A. (CH) 2012-12-26 EP disclosed
WO-2011101806-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2011-08-25 WO disclosed
WO-2011101806-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2011-08-25 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-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS JAK2, SRC, JAK1 KAT2B 2059/4885LMNA 4805/4885KMT2A 1825/4885
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS JAK2, SRC, JAK1 KAT2B 2059/4885LMNA 4805/4885KMT2A 1825/4885

“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.