SCHEMBL14330643

SCHEMBL14330643

COc1ccc(CNc2cc3ccc(Cl)cc3cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 7/20 0.56
HTT P42858 1/20 0.53
DYRK1A Q13627 4/20 0.51
CLK1 P49759 2/20 0.51
CLK2 P49760 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
VNN1 O95497 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACP1 P24666 1/20 0.46

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
SCHEMBL20950754 0.84 CLK4 (0.50) CLK4HTTDYRK1ACLK1CLK2
SCHEMBL20967232 0.82 CLK4 (0.48) CLK4HTTDYRK1ACLK1CLK2
SCHEMBL21805769 0.82 NPC1 (0.61) CLK4HTTDYRK1ACLK1CLK2
SCHEMBL26459069 0.77 NPC1 (0.50) CLK4HTTDYRK1ACLK1CLK2
SCHEMBL20489500 0.76 MAPT (0.57) CLK4HTTDYRK1ACLK1VNN1
SCHEMBL2308761 0.75 NPC1 (0.68) CLK4DYRK1ACLK1VNN1NPC1
SCHEMBL1136800 0.75 HTT (0.54) CLK4HTTDYRK1ACLK1CLK2
SCHEMBL24460958 0.75 CLK4 (0.53) CLK4HTTDYRK1ACLK1CLK2
SCHEMBL30236327 0.74 EGFR (0.51) CLK4DYRK1ACLK1NPC1RAB9A
SCHEMBL27103118 0.74 EGFR (0.51) CLK4DYRK1ACLK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723731-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS INC (US) 2017-10-25 EP disclosed
US-8940735-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8883797-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20130012503-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-01-10 US disclosed
WO-2012177728-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 WO disclosed
WO-2012177725-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 WO disclosed
US-20120329802-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 US 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-20130012503-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CLK4 2686/4885HTT 2269/4885DYRK1A 3254/4885
US-20120329802-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CLK4 2686/4885HTT 2269/4885DYRK1A 3254/4885

“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.