SCHEMBL2464901

SCHEMBL2464901

CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)c(OC(F)F)nc3C)c(F)c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 4/20 0.43
KCNH2 Q12809 3/20 0.43
CYP3A4 P08684 3/20 0.43
NR1I2 O75469 1/20 0.43
ACKR3 P25106 3/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
ADORA2A P29274 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
SMO Q99835 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL2470386 0.93 CYP2C8 (0.44) CYP2C8KCNH2CYP3A4NR1I2ACKR3
SCHEMBL2465370 0.91 CYP2C8 (0.40) CYP2C8KCNH2CYP3A4NR1I2CNR1
SCHEMBL2464498 0.86 CYP2C8 (0.41) CYP2C8KCNH2CYP3A4NR1I2ACKR3
SCHEMBL2463399 0.85 CYP2C8 (0.36) CYP2C8KCNH2CYP3A4NR1I2CNR1
SCHEMBL2991677 0.85 CYP2C8 (0.46) CYP2C8KCNH2CYP3A4NR1I2ACKR3
SCHEMBL2469800 0.83 CSNK1D (0.37) CNR1CNR2
SCHEMBL2465993 0.83 CYP2C8 (0.41) CYP2C8KCNH2CYP3A4NR1I2CNR2
SCHEMBL1936127 0.82 CYP2C8 (0.61) CYP2C8KCNH2CYP3A4NR1I2ACKR3
SCHEMBL2433801 0.82 ALDH1A1 (0.36) CNR1CNR2
SCHEMBL2461748 0.82 CYP2C8 (0.51) CYP2C8KCNH2CYP3A4NR1I2ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP claimed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US claimed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO claimed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US claimed
EP-2545050-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-08-13 EP disclosed
EP-2545050-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-08-13 EP disclosed
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 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-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885KCNH2 3450/4885CYP3A4 230/4885

“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.