SCHEMBL2622395

SCHEMBL2622395

Cc1ccc(Nc2nc(N)nc(-c3cc(C(F)(F)F)ccc3Cl)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.52
▸ AGPAT2 O15120 5/20 0.50
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ GPR68 Q15743 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ HTR2B P41595 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CHRNA7 P36544 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4361684 0.91 AGPAT2 (0.56) APPAGPAT2NPC1RAB9ACDK9
SCHEMBL2622396 0.87 AGPAT2 (0.48) APPAGPAT2NPC1RAB9AJAK2
SCHEMBL2622387 0.86 AGPAT2 (0.66) APPAGPAT2NPC1RAB9AJAK2
SCHEMBL14818922 0.84 AGPAT2 (0.68) APPAGPAT2NPC1RAB9ACDK9
SCHEMBL2622394 0.82 AGPAT2 (0.65) APPAGPAT2NPC1RAB9AJAK2
SCHEMBL4364945 0.82 AGPAT2 (0.62) APPAGPAT2NPC1RAB9AJAK2
SCHEMBL11612298 0.80 HTR2B (0.62) NPC1RAB9AJAK2HTR2BPDE4D
SCHEMBL4366463 0.78 AGPAT2 (0.70) AGPAT2NPC1RAB9ACDK9HTR2B
SCHEMBL14769763 0.77 AGPAT2 (0.65) APPAGPAT2NPC1RAB9AJAK2
SCHEMBL4362048 0.76 AGPAT2 (0.81) AGPAT2NPC1RAB9AJAK2GPR68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 — — US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 — — US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 — — US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 — — US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 — — US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 — — 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 APP 3745/4885AGPAT2 1226/4885NPC1 1849/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 APP 3745/4885AGPAT2 1226/4885NPC1 1849/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 APP 3745/4885AGPAT2 1226/4885NPC1 1849/4885

“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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