SCHEMBL522090

SCHEMBL522090

Nc1cc2c(cc1F)CCC(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.54
KIF11 P52732 5/20 0.43
NPC1 O15118 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 8/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SRD5A1 P18405 3/20 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
SCHEMBL21646067 0.93 CA9 (0.54) CA9KIF11NPC1MAPK13MAPK12
SCHEMBL4104017 0.85 CA9 (0.52) CA9KIF11NPC1MAPK13MAPK12
SCHEMBL9597670 0.85 CA9 (0.61) CA9KIF11NPC1MAPK13MAPK12
SCHEMBL31727396 0.84 HDAC3 (0.46) CA9KIF11
SCHEMBL153758 0.84 HDAC3 (0.46) CA9KIF11
SCHEMBL30888599 0.79 PKM (0.53) CA9KIF11NPC1MAPK13MAPK12
SCHEMBL30896340 0.79 CA9 (0.54) CA9KIF11NPC1MAPK13MAPK12
SCHEMBL7276737 0.79 CA9 (0.54) CA9KIF11NPC1MAPK13MAPK12
SCHEMBL18112918 0.79 CA9 (0.46) CA9KIF11NPC1MAPK13MAPK12
SCHEMBL12992058 0.79 CA9 (0.54) CA9KIF11NPC1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-04-01 US disclosed
CN-1473162-A Bicyclic triazolone derivatives and herbicides containing the same ס������ũҩ��ʽ���� 2004-02-04 CN disclosed
EP-1333031-A1 BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 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 (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-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same WEE1, WEE2, BAK1 CA9 1704/4885KIF11 595/4885NPC1 4461/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 CA9 4168/4885KIF11 2059/4885NPC1 3543/4885

“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.