SCHEMBL4822220

SCHEMBL4822220

NC(=O)c1ccc2cc3n(c2c1)C=CNc1ccccc1-3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.40
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
PLAU P00749 1/20 0.34
RPS6KA2 Q15349 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BRPF1 P55201 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LCK P06239 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
ROCK2 O75116 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL4139797 0.89 KMT2A (0.37) RAB9AKDM4EALDH1A1MEN1KMT2A
SCHEMBL4829868 0.81 KMT2A (0.37) KDM4EBRD4ALDH1A1MEN1KMT2A
SCHEMBL841837 0.77 RPS6KA3 (0.41) RPS6KA3BAZ2BBAZ2APLAURPS6KA2
SCHEMBL4831402 0.72 RPS6KA3 (0.59) RPS6KA3RPS6KA2
SCHEMBL50474 0.72 RPS6KA3 (0.39) RPS6KA3BAZ2BBAZ2APLAURPS6KA2
SCHEMBL3945086 0.71 RPS6KA3 (0.40) RPS6KA3BAZ2BBAZ2APLAURPS6KA2
SCHEMBL4823385 0.71 RPS6KA3 (0.41) RPS6KA3RPS6KA2NPC1RAB9AJAK2
SCHEMBL5329442 0.68 SRD5A2 (0.39) RPS6KA3BAZ2BBAZ2APLAURPS6KA2
SCHEMBL50820 0.67 RPS6KA3 (0.49) RPS6KA3BAZ2BBAZ2APLAURPS6KA2
SCHEMBL4831486 0.66 RPS6KA3 (0.41) RPS6KA3RPS6KA2JAK2JAK1TYK2

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
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 RPS6KA3 684/4885BAZ2B 2728/4885BAZ2A 2841/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 RPS6KA3 684/4885BAZ2B 2728/4885BAZ2A 2841/4885

“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.