SCHEMBL2598119

SCHEMBL2598119

N#Cc1c(-c2ccccc2F)[nH]c2cncnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.46
▸ MAPK14 Q16539 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CUL4A Q13619 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ KCNMA1 Q12791 1/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ PTGES O14684 1/20 0.34
▸ MET P08581 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
SCHEMBL12186618 0.80 MAPK14 (0.42) PDE10AMAPK14KDM4EALDH1A1GAA
SCHEMBL12186595 0.80 MAPK14 (0.42) PDE10AMAPK14KDM4EALDH1A1HPGD
SCHEMBL13148102 0.77 PDE10A (0.58) PDE10AKDM4EALDH1A1HPGDGLA
SCHEMBL2598152 0.68 RIPK2 (0.42) ALDH1A1ADORA1ADORA2APIM1PTGES
SCHEMBL3063545 0.65 METAP2 (0.58) MAPK14ALDH1A1GAAPTGESMET
SCHEMBL5743717 0.64 CUL4A (0.40) PDE10AKDM4EALDH1A1HPGDGAA
SCHEMBL28843463 0.64 POLB (0.54) PDE10AKDM4EALDH1A1HPGDGLA
SCHEMBL30320037 0.64 GABRA1 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2391060 0.64 GABRA1 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL28318559 0.63 NPC1 (0.45) KDM4EALDH1A1GAAHSD17B10PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815858-B2 Heterocyclic flaviviridae virus inhibitors GILEAD SCIENCES, INC. (US) 2014-08-26 — — US disclosed
US-8815858-B2 Heterocyclic flaviviridae virus inhibitors GILEAD SCIENCES, INC. (US) 2014-08-26 — — US disclosed
US-8815858-B2 Heterocyclic flaviviridae virus inhibitors GILEAD SCIENCES, INC. (US) 2014-08-26 — — US disclosed
US-20130171102-A1 HETEROCYCLIC FLAVIVIRIDAE VIRUS INHIBITORS GILEAD SCIENCES, INC. (US) 2013-07-04 — — US disclosed
US-20130171102-A1 HETEROCYCLIC FLAVIVIRIDAE VIRUS INHIBITORS GILEAD SCIENCES, INC. (US) 2013-07-04 — — US disclosed
US-20130171102-A1 HETEROCYCLIC FLAVIVIRIDAE VIRUS INHIBITORS GILEAD SCIENCES, INC. (US) 2013-07-04 — — US disclosed
EP-2571882-A1 HETEROCYCLIC FLAVIVIRIDAE VIRUS INHIBITORS Gilead Sciences, Inc. (US) 2013-03-27 — — EP disclosed
WO-2011146817-A1 HETEROCYCLIC FLAVIVIRIDAE VIRUS INHIBITORS GILEAD SCIENCES, INC. (US) 2011-11-24 — — 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 (1 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-20130171102-A1 HETEROCYCLIC FLAVIVIRIDAE VIRUS INHIBITORS EIF2AK2, MAVS, ZC3HAV1 PDE10A 3528/4885MAPK14 1753/4885KDM4E 1201/4885

“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