SCHEMBL672983

SCHEMBL672983

Clc1cccc(-n2cc(Br)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
FLT3 P36888 1/20 0.43
GSK3B P49841 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MGLL Q99685 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
IDO1 P14902 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 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
SCHEMBL30782532 1.00 NOTUM (0.47) NOTUMFLT3GSK3BMKNK1ALDH1A1
SCHEMBL17214787 0.79 NOTUM (0.47) NOTUMFLT3GSK3BMKNK1ALDH1A1
SCHEMBL29434935 0.79 EPHX2 (0.49) ALDH1A1NPC1RAB9AMEN1PKM
SCHEMBL22118578 0.79 EPHX2 (0.49) ALDH1A1NPC1RAB9AMEN1PKM
SCHEMBL2132953 0.79 NOTUM (0.47) NOTUMFLT3GSK3BMKNK1ALDH1A1
SCHEMBL9134471 0.79 NOTUM (0.47) NOTUMFLT3GSK3BMKNK1MGLL
SCHEMBL182108 0.78 MEN1 (0.47) NOTUMALDH1A1NPC1RAB9AMEN1
SCHEMBL152495 0.77 GAA (0.59) ALDH1A1NPC1RAB9AMEN1PKM
SCHEMBL2412452 0.77 NOTUM (0.47) NOTUMFLT3GSK3BMKNK1MGLL
SCHEMBL31517466 0.77 NOTUM (0.47) NOTUMFLT3GSK3BMKNK1MGLL

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
US-9849109-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
EP-2606031-B1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2017-09-27 EP disclosed
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2015-06-18 US disclosed
US-9000025-B2 Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
CN-103201262-A Autotaxin inhibitors and uses thereof AMIRA PHARMACEUTICALS INC 2013-07-10 CN disclosed
EP-2606031-A2 AUTOTAXIN INHIBITORS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-06-26 EP disclosed
US-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2013-06-13 US disclosed
WO-2012024620-A2 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-02-23 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-20130150326-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 NOTUM 2237/4885FLT3 3176/4885GSK3B 3029/4885
US-20150164861-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, SERPINE1 NOTUM 2237/4885FLT3 3176/4885GSK3B 3029/4885

“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.