SCHEMBL3938873

SCHEMBL3938873

NC(=O)C1=Cc2ccccc2-c2cc3ccc(C(N)=O)cc3n2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 4/20 0.45
RPS6KA2 Q15349 4/20 0.36
ROCK2 O75116 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PDK2 Q15119 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
CTRB1 P17538 1/20 0.33
PLAU P00749 1/20 0.33
FGFR1 P11362 1/20 0.33
BCAT2 O15382 1/20 0.33
PLA2G10 O15496 1/20 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

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
SCHEMBL3941964 0.93 RPS6KA3 (0.43) RPS6KA3RPS6KA2ROCK2PIM1PIM3
SCHEMBL50870 0.84 POLB (0.39) RPS6KA3RPS6KA2FGFR1KDM4EALDH1A1
SCHEMBL50820 0.84 RPS6KA3 (0.49) RPS6KA3RPS6KA2ROCK2PIM1PIM3
SCHEMBL5304198 0.80 HPGD (0.45) KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL271134 0.80 RPS6KA3 (0.46) RPS6KA3RPS6KA2ROCK2PIM1PIM3
SCHEMBL3946964 0.79 RPS6KA2 (0.41) RPS6KA3RPS6KA2PDK2ALDH1A1
SCHEMBL51354 0.79 DAO (0.38) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL253105 0.74 HTR1A (0.34) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3088133 0.72 RPS6KA3 (0.54) RPS6KA3RPS6KA2BCAT2
SCHEMBL4831402 0.71 RPS6KA3 (0.59) RPS6KA3RPS6KA2

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-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
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
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B RPS6KA3 2580/4885RPS6KA2 3301/4885ROCK2 4166/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 RPS6KA3 684/4885RPS6KA2 984/4885ROCK2 2766/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 RPS6KA3 684/4885RPS6KA2 984/4885ROCK2 2766/4885

“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.