SCHEMBL2598152

SCHEMBL2598152

Fc1ccccc1-c1cc2ncncc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.42
▸ PIM1 P11309 2/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MTOR P42345 1/20 0.39
▸ CDC7 O00311 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ NR3C1 P04150 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ PTGES O14684 1/20 0.37
▸ MET P08581 1/20 0.36
▸ KDR P35968 1/20 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
SCHEMBL14976218 0.78 CCNB2 (0.49) NPC1ALDH1A1RAB9ANPY5R
SCHEMBL20516529 0.77 RIPK2 (0.47) RIPK2NPC1ALDH1A1PKMRAB9A
SCHEMBL29871188 0.74 CYP19A1 (0.45) NPC1ALDH1A1PKMRAB9AL3MBTL1
SCHEMBL3765594 0.74 CYP19A1 (0.45) NPC1ALDH1A1PKMRAB9AL3MBTL1
SCHEMBL29871364 0.71 F3 (0.48) CDC7FFAR1
SCHEMBL3837963 0.71 F3 (0.48) CDC7FFAR1
SCHEMBL2598068 0.71 MAPK14 (0.42) PIM1NPC1ALDH1A1PKMRAB9A
SCHEMBL12186618 0.71 MAPK14 (0.42) PIM1NPC1ALDH1A1PKMRAB9A
SCHEMBL12186595 0.71 MAPK14 (0.42) PIM1NPC1ALDH1A1PKMRAB9A
SCHEMBL3063545 0.70 METAP2 (0.58) NPC1ALDH1A1PKMRAB9AL3MBTL1

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 RIPK2 2369/4885PIM1 1938/4885NPC1 457/4885

“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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