SCHEMBL2844289

SCHEMBL2844289

O=C(O)/C=C/CN1CCN(CCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD11B1 P28845 1/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
GABRR1 P24046 2/20 0.35
GABRR2 P28476 2/20 0.35
BLM P54132 2/20 0.35
LMNA P02545 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
APEX1 P27695 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.34
GAA P10253 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
SCHEMBL2844292 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EHSD11B1TSHRHTT
SCHEMBL2979104 0.82 SMN1; SMN2 (0.41) ALDH1A1KDM4ETSHRGABRR1GABRR2
SCHEMBL2979106 0.82 SMN1; SMN2 (0.41) ALDH1A1KDM4ETSHRGABRR1GABRR2
SCHEMBL15601075 0.80 TP53 (0.38) ALDH1A1KDM4EHSD11B1TSHRHTT
SCHEMBL2977139 0.79 BLM (0.41) ALDH1A1TSHRGABRR1GABRR2BLM
SCHEMBL2977137 0.79 BLM (0.41) ALDH1A1TSHRGABRR1GABRR2BLM
SCHEMBL16901712 0.79 BLM (0.41) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL10954953 0.79 BLM (0.41) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL2972245 0.78 CYP1A2 (0.41) ALDH1A1TSHRGABRR1GABRR2BLM
Hydrochloric Acid SCHEMBL20981810 0.78 BLM (0.39) TSHRGABRR1GABRR2BLMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP claimed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP claimed
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
EP-2896612-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings LLC (US) 2015-07-22 EP disclosed
EP-2840080-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF Fujifilm Corporation (JP) 2015-02-25 EP disclosed
EP-2840080-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF Fujifilm Corporation (JP) 2015-02-25 EP disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 US disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 US disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 US disclosed
EP-2253620-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH HOLDINGS LLC (US) 2014-03-12 EP disclosed
WO-2013157540-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-10-24 WO disclosed
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP disclosed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP 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-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FLT3, NPM1, ABL1 ALDH1A1 2553/4885KDM4E 2696/4885HSD11B1 3693/4885

“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.