SCHEMBL9899588

SCHEMBL9899588

C=Cc1cc(CO)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.52
BTK Q06187 2/20 0.38
PRKCI P41743 1/20 0.35
PLAU P00749 1/20 0.35
MAOA P21397 1/20 0.34
DYRK1A Q13627 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
KRAS P01116 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL10815614 0.85 KDM4E (0.38) RECQLBTKHDAC8
SCHEMBL764017 0.80 RECQL (0.52) RECQLPRKCIPLAUMAOADYRK1A
SCHEMBL29935916 0.80 RECQL (0.52) RECQLPRKCIPLAUMAOADYRK1A
SCHEMBL1972140 0.80 NOS3 (0.52) RECQLBTKHDAC8CYP3A4CYP2D6
SCHEMBL20920751 0.77 BTK (0.36) BTKHDAC8CYP3A4LOXL2NOS3
SCHEMBL20586694 0.77 BTK (0.44) BTKGABRPGABRDGABRA1GABRB1
SCHEMBL19728333 0.76 GABRA1 (0.37) BTKHDAC8GABRA1GABRB2NOS3
SCHEMBL20391850 0.74 ACHE (0.39) RECQL
SCHEMBL24696617 0.73 TDP1 (0.41) CYP3A4
SCHEMBL11456043 0.73 CA12 (0.36) RECQLPLAU

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-2649076-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-03-04 EP disclosed
EP-2649076-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-03-04 EP disclosed
US-8933015-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-01-13 US disclosed
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2014-01-23 US disclosed
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2014-01-23 US disclosed
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2014-01-23 US disclosed
EP-2649076-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2013-10-16 EP disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
WO-2012078915-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-14 WO disclosed
WO-2012078915-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-14 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-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, CYP2F1 RECQL 1113/4885BTK 2251/4885PRKCI 2850/4885
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, CYP2F1 RECQL 1113/4885BTK 2251/4885PRKCI 2850/4885

“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.