SCHEMBL10044896

SCHEMBL10044896

CC(C)=C1c2cccnc2-c2ncccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 3/20 0.52
▸ NSD2 O96028 2/20 0.52
▸ PAX8 Q06710 2/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ PLCG1 P19174 1/20 0.52
▸ CES1 P23141 1/20 0.52
▸ RIN1 Q13671 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ S100A4 P26447 5/20 0.42
▸ CDC25B P30305 3/20 0.42
▸ PTPRC P08575 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ PTPN13 Q12923 1/20 0.42
▸ PDK2 Q15119 2/20 0.41

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
SCHEMBL10044895 0.86 KMT2A (0.52) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL2910234 0.77 TDP1 (0.70) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL14380254 0.77 TDP1 (0.70) TDP2NSD2PAX8ABL1PLCG1
Acetic Acid SCHEMBL5323363 0.72 TDP2 (0.76) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL12589660 0.72 GAA (0.47) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL22929974 0.72 PTPRC (0.67) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL22930033 0.72 TDP1 (0.62) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL11046636 0.72 DRD2 (0.44) TDP2NSD2GAAKMT2AMEN1
SCHEMBL14257666 0.70 TDP2 (0.40) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL10253722 0.70 ALDH1A1 (0.41) KMT2APDK2CYP1A2CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526769-B2 Macrocylic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2016-12-27 — — US disclosed
US-8268776-B2 mixture of cytochrome P450 monooxygenase inhibitor and protease inhibitor for anti-hepatitis C viral treatment; including other active drugs as interferon, ribavarin, and adamantine ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
US-8268776-B2 mixture of cytochrome P450 monooxygenase inhibitor and protease inhibitor for anti-hepatitis C viral treatment; including other active drugs as interferon, ribavarin, and adamantine ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
US-8193346-B2 Process for making macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-06-05 — — US disclosed
US-8193346-B2 Process for making macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-06-05 — — US disclosed
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 — — US disclosed
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 — — US disclosed
WO-2009073780-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 — — WO disclosed
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-07-31 — — US disclosed
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-06 — — US disclosed
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-06 — — US disclosed
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2007-12-06 — — 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-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN TDP2 4521/4885NSD2 1534/4885PAX8 4734/4885
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN TDP2 4521/4885NSD2 1534/4885PAX8 4734/4885
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors HCCS, HPN, CYP3A4 TDP2 4484/4885NSD2 1406/4885PAX8 4652/4885
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS PREP, HCCS, PEPD TDP2 4538/4885NSD2 3345/4885PAX8 4205/4885

“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.

Send feedback