SCHEMBL936778

SCHEMBL936778

CCOc1cc(Cl)c2ccc(OC)c(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 2/20 0.39
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
ENPP1 P22413 1/20 0.36
CBLB Q13191 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36

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
SCHEMBL8140632 0.87 USP2 (0.41) PDPK1MAPTKMT2AMEN1LMNA
SCHEMBL13763658 0.86 USP2 (0.41) PDPK1MAPTKMT2AMEN1LMNA
SCHEMBL8271690 0.86 MAPT (0.43) PDPK1MAPTKMT2AMEN1USP2
SCHEMBL1952047 0.83 USP2 (0.39) PDPK1MAPTKMT2AMEN1USP2
SCHEMBL13757442 0.83 USP2 (0.37) PDPK1MAPTKMT2AMEN1LMNA
SCHEMBL13409408 0.82 TRPV1 (0.39) PDPK1MAPTKMT2AMEN1USP2
SCHEMBL314537 0.81 ALDH1A1 (0.42) PDPK1MAPTPDE4DKDM4EALDH1A1
SCHEMBL13757500 0.80 MAPT (0.38) PDPK1MAPTKMT2AMEN1USP2
SCHEMBL8278961 0.77 LMNA (0.39) PDPK1MAPTKMT2AMEN1LMNA
SCHEMBL13763635 0.77 MAPT (0.39) MAPTKMT2AMEN1LMNAUSP2

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-8927484-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-8927484-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-8927484-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
EP-2475657-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-07-18 EP disclosed
US-20110135599-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-20110135599-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-20110135599-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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 (3 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 PDPK1 3141/4885MAPT 2889/4885KMT2A 3967/4885
US-20110135599-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, HAVCR2 PDPK1 2317/4885MAPT 4252/4885KMT2A 4519/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 PDPK1 3141/4885MAPT 2889/4885KMT2A 3967/4885

“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.