SCHEMBL14769763

SCHEMBL14769763

Cc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3F)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 6/20 0.65
▸ CDK9 P50750 3/20 0.59
▸ APP P05067 1/20 0.52
▸ NPC1 O15118 7/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ GPR68 Q15743 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ CASP3 P42574 2/20 0.48
▸ SENP7 Q9BQF6 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL4360661 0.92 AGPAT2 (0.68) AGPAT2CDK9NPC1RAB9AALDH1A1
SCHEMBL4362048 0.88 AGPAT2 (0.81) AGPAT2CDK9NPC1RAB9AJAK2
SCHEMBL2622387 0.88 AGPAT2 (0.66) AGPAT2CDK9APPNPC1RAB9A
SCHEMBL2622396 0.85 AGPAT2 (0.48) AGPAT2CDK9APPNPC1RAB9A
SCHEMBL2622384 0.84 AGPAT2 (0.88) AGPAT2CDK9ALDH1A1SMN1; SMN2LMNA
SCHEMBL4364303 0.83 AGPAT2 (0.67) AGPAT2CDK9APPNPC1RAB9A
SCHEMBL4361915 0.83 AGPAT2 (0.85) AGPAT2CDK9NPC1RAB9AALDH1A1
SCHEMBL4364945 0.82 AGPAT2 (0.62) AGPAT2CDK9APPNPC1RAB9A
SCHEMBL4371820 0.82 AGPAT2 (0.76) AGPAT2CDK9NPC1RAB9AJAK2
SCHEMBL4372065 0.81 AGPAT2 (0.89) AGPAT2CDK9NPC1RAB9AJAK2

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 4 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

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-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 AGPAT2 1226/4885CDK9 1410/4885APP 3745/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 AGPAT2 1226/4885CDK9 1410/4885APP 3745/4885

“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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