SCHEMBL3903095

SCHEMBL3903095

COC(=O)c1ccc2cc3n(c2c1)CC=Cc1ccccc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.41
ACLY P53396 1/20 0.38
FGFR1 P11362 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
TRPA1 O75762 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
RPS6KA3 P51812 1/20 0.37
RPS6KA2 Q15349 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
KIF11 P52732 1/20 0.36
PTPRC P08575 1/20 0.36
HPGD P15428 2/20 0.36
PDK2 Q15119 2/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
APOBEC3A P31941 1/20 0.35

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
SCHEMBL16354331 0.75 ACLY (0.36) ACLYFGFR1HSD17B10NPC1RPS6KA3
SCHEMBL3572946 0.73 NR1I2 (0.47) ALDH1A1LMNAHPGDKDM4ESMN1; SMN2
SCHEMBL2156296 0.68 BCL2L1 (0.38) MAPK1HSD17B10RPS6KA3ALDH1A1LMNA
SCHEMBL28097299 0.67 ALDH1A1 (0.49) TRPA1MAPK1NPC1ALDH1A1LMNA
SCHEMBL50870 0.66 POLB (0.39) ACLYFGFR1HSD17B10RPS6KA3RPS6KA2
SCHEMBL8586537 0.65 CA9 (0.55) MAPK1HSD17B10ALDH1A1HPGDKDM4E
SCHEMBL22004312 0.65 ACSS2 (0.53) ACLYPDGFRBKDRALDH1A1HPGD
SCHEMBL22004307 0.65 ACLY (0.50) ACLYFGFR1PDGFRBKDRHSD17B10
SCHEMBL21657870 0.65 NR1H2 (0.44) CREBBPPDGFRBKDR
SCHEMBL4604283 0.64 FGFR1 (0.56) FGFR1TRPA1HSD17B10NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
EP-2114947-B1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
US-7541351-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7541352-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-20080188458-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
US-20080171015-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US 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-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 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 (4 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-20080188458-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CREBBP 2670/4885ACLY 479/4885FGFR1 3530/4885
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B CREBBP 2687/4885ACLY 2053/4885FGFR1 4144/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 CREBBP 2229/4885ACLY 613/4885FGFR1 3893/4885
US-20080171015-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CREBBP 2670/4885ACLY 479/4885FGFR1 3530/4885

“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.