SCHEMBL5743327

SCHEMBL5743327

COc1ncccc1Cc1cnc(C(N)=O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.42
GRM2 Q14416 1/20 0.41
CDC7 O00311 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LIMK1 P53667 2/20 0.35
IKBKB O14920 2/20 0.35
CHUK O15111 1/20 0.35
ABL1 P00519 1/20 0.35
KDM1A O60341 3/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL235980 0.81 POLB (0.54) SLC13A5POLBKDM1ALMNACYP3A4
SCHEMBL2203168 0.81 POLB (0.54) SLC13A5POLBKDM1ALMNACYP3A4
SCHEMBL5742525 0.74 POLB (0.57) POLBMEN1KMT2AABL1LMNA
SCHEMBL2753695 0.73 CFTR (0.67) POLBMEN1KMT2AABL1LMNA
SCHEMBL6378783 0.72 RAB9A (0.44) SLC13A5MEN1KMT2AKDM1ACYP1A2
SCHEMBL20520318 0.71 SLC13A5 (0.54) SLC13A5JAK2JAK3KDM1AMAOA
SCHEMBL28960253 0.71 SLC13A5 (0.48) SLC13A5KMT2AKDM1ALMNACYP1A2
SCHEMBL91503 0.69 SLC13A5 (0.50) SLC13A5MEN1KMT2AKDM1AMAOA
SCHEMBL5780757 0.68 SLC13A5 (0.58) SLC13A5KDM1ACYP1A2MAOAMAOB
SCHEMBL1723847 0.68 RAB9A (0.58) CDC7CCNE1CDK2DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219709-B1 INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-03-18 EP disclosed
EP-3219709-A1 INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-20 EP disclosed
EP-1716122-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-04-19 EP disclosed
EP-1716122-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-11-02 EP disclosed
US-20060052358-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-03-09 US disclosed
WO-2005075435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-08-18 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 (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-20060052358-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders CFTR, ABCC2, ABCC4 SLC13A5 322/4885GRM2 3842/4885CDC7 4687/4885

“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.