SCHEMBL2598068

SCHEMBL2598068

Fc1ccccc1-c1[nH]c2cncnc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.42
▸ PTGES O14684 1/20 0.41
▸ PIM1 P11309 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PADI4 Q9UM07 1/20 0.34
▸ CSNK1D P48730 1/20 0.33

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
SCHEMBL12186595 0.83 MAPK14 (0.42) MAPK14PTGESPIM1ALDH1A1NPC1
SCHEMBL12186618 0.83 MAPK14 (0.42) MAPK14PTGESPIM1ALDH1A1NPC1
SCHEMBL2598119 0.80 PDE10A (0.46) MAPK14PTGESPIM1ALDH1A1GAA
SCHEMBL3773933 0.75 CHUK (0.50) MAPK14PTGESPIM1ALDH1A1KDM4E
SCHEMBL2598152 0.71 RIPK2 (0.42) PTGESPIM1ALDH1A1NPC1PKM
SCHEMBL3063545 0.68 METAP2 (0.58) MAPK14PTGESALDH1A1NPC1PKM
SCHEMBL30320037 0.66 GABRA1 (0.53) PIM1ALDH1A1KDM4EIDO1
SCHEMBL2391060 0.66 GABRA1 (0.53) PIM1ALDH1A1KDM4EIDO1
SCHEMBL29576346 0.66 NPC1 (0.45) PIM1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL28318559 0.66 NPC1 (0.45) PIM1ALDH1A1NPC1RAB9AL3MBTL1

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 9 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
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 MAPK14 1753/4885PTGES 953/4885PIM1 1938/4885

“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.

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