SCHEMBL995659

SCHEMBL995659

COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A1 P04798 4/20 0.38
CYP1B1 Q16678 4/20 0.38
ACHE P22303 1/20 0.38
SMYD3 Q9H7B4 1/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
NFKB1 P19838 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
TACR3 P29371 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL8244066 0.87 SMN1; SMN2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12362342 0.87 KDM4E (0.41) CYP1A2CYP2C19SMN1; SMN2KDM4EALDH1A1
SCHEMBL313100 0.86 CYP19A1 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL15216084 0.86 ACHE (0.40) CYP1A2CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL3478856 0.85 TACR3 (0.40) CYP3A4SMN1; SMN2KDM4EALDH1A1CYP1A1
SCHEMBL10220208 0.84 KDM4E (0.44) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3429850 0.84 SMN1; SMN2 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3427491 0.84 KDM4E (0.45) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12730963 0.82 CYP1A1 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10271202 0.82 KDM4E (0.44) SMN1; SMN2KDM4EALDH1A1CYP1A1CYP1B1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 US disclosed
US-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 US disclosed
US-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 US disclosed
CN-101282978-B Macrocylic inhibitors of hepatitis c virus TIBOTEC PHARM LTD 2012-07-11 CN disclosed
CN-101233147-B Macrocyclic inhibitors of hepatitis c virus TIBOTEC PHARM LTD 2012-06-20 CN disclosed
EP-1912997-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-09-14 EP disclosed
EP-1912997-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-09-14 EP disclosed
US-8008251-B2 Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-30 US disclosed
US-8008251-B2 Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-30 US disclosed
US-8008251-B2 Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-30 US disclosed
US-6878722-B2 Substituted cycloalkyl P1′ hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-12 US disclosed
US-6867185-B2 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-15 US disclosed
EP-1505945-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2005-02-16 EP disclosed
EP-1455809-A2 INHIBITORS OF HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2004-09-15 EP disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
US-20040038872-A1 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 US disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20040038872-A1 Inhibitors of hepatitis C virus HAVCR2, LIPC, ZC3HAV1 CYP1A2 1146/4885CYP3A4 1124/4885CYP2C9 2365/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP CYP1A2 3833/4885CYP3A4 2730/4885CYP2C9 3923/4885

“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.