SCHEMBL890113

SCHEMBL890113

Cc1ccc2cc(-c3cnc(C)nc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.52
CYP2A6 P11509 3/20 0.52
TDP1 Q9NUW8 1/20 0.45
FTO Q9C0B1 1/20 0.45
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABL1 P00519 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2616807 0.84 CYP11B1 (0.52) CYP1A2CYP2A6TDP1FTOALDH1A1
SCHEMBL10141460 0.82 CYP1A2 (0.45) CYP1A2CYP2A6TDP1FTOCCR1
SCHEMBL23555855 0.80 CYP1A2 (0.72) CYP1A2CYP2A6TDP1ALDH1A1CYP3A4
SCHEMBL26794160 0.80 CYP1A2 (0.52) CYP1A2CYP2A6TDP1ALDH1A1CYP3A4
SCHEMBL10000246 0.78 NPSR1 (0.48) TDP1CCR1CCR5CCR8PDGFRB
SCHEMBL9187014 0.78 CYP1A2 (0.68) CYP1A2CYP2A6TDP1ALDH1A1CYP3A4
SCHEMBL10000245 0.78 NPSR1 (0.48) TDP1CCR1CCR5CCR8PDGFRB
SCHEMBL19287326 0.78 CYP1A2 (0.68) CYP1A2CYP2A6TDP1ALDH1A1CYP3A4
SCHEMBL10147747 0.78 FTO (0.41) FTOGSK3BDYRK1AALDH1A1HSD17B10
SCHEMBL12810159 0.77 CYP1A2 (0.43) CYP1A2CYP2A6TDP1FTOCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8927709-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8785487-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8653070-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 (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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP1A2 205/4885CYP2A6 283/4885TDP1 3277/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP1A2 205/4885CYP2A6 304/4885TDP1 3253/4885

“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.