SCHEMBL884707

SCHEMBL884707

c1cncc(C(Cc2cccnc2Nc2ccc3c(c2)OCCO3)c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 11/20 0.50
TUBB P07437 11/20 0.50
TUBA3C P0DPH7 11/20 0.50
TUBA1B P68363 11/20 0.50
TUBA4A P68366 11/20 0.50
TUBB4B P68371 11/20 0.50
TUBB3 Q13509 11/20 0.50
TUBB2A Q13885 11/20 0.50
TUBB8 Q3ZCM7 11/20 0.50
TUBA3E Q6PEY2 11/20 0.50
TUBA1A Q71U36 11/20 0.50
TUBA1C Q9BQE3 11/20 0.50
TUBB6 Q9BUF5 11/20 0.50
TUBB2B Q9BVA1 11/20 0.50
TUBB1 Q9H4B7 11/20 0.50
KDR P35968 4/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2062719 0.81 KCNA5 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL884975 0.80 KCNA5 (0.52) KDRKDM4EKCNA5KCNH2
SCHEMBL884875 0.80 KCNA5 (0.56) SMN1; SMN2KDM4EKCNA5KCNH2
SCHEMBL884797 0.80 KCNA5 (0.46) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL884574 0.79 KCNA5 (0.46) NPC1MAPTKCNA5KCNH2
SCHEMBL886205 0.79 KCNA5 (0.61) NPC1RAB9AKCNA5KCNH2
SCHEMBL884464 0.79 KCNA5 (0.56) KDM4EKCNA5KCNH2
SCHEMBL885036 0.78 KCNA5 (0.48) KDM4EMAPTKCNA5KCNH2
SCHEMBL2062733 0.78 KCNA5 (0.54) KDRRAB9ASMN1; SMN2KCNA5KCNH2
SCHEMBL1375914 0.78 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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 (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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 TUBB4A 2378/4885TUBB 1696/4885TUBA3C 1594/4885

“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.