SCHEMBL2622396

SCHEMBL2622396

Cc1ccc(Nc2nc(N)nc(-c3cc(C(F)(F)F)ccc3F)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 5/20 0.48
▸ APP P05067 2/20 0.47
▸ GPR68 Q15743 1/20 0.47
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HTT P42858 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CHRNA7 P36544 1/20 0.42
▸ MPL P40238 1/20 0.41
▸ USP2 O75604 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ADORA2A P29274 1/20 0.39

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
SCHEMBL2622395 0.87 APP (0.52) AGPAT2APPGPR68MAPTLMNA
SCHEMBL14769763 0.85 AGPAT2 (0.65) AGPAT2APPGPR68MAPTLMNA
SCHEMBL14818922 0.83 AGPAT2 (0.68) AGPAT2APPMAPTLMNANPC1
SCHEMBL4361684 0.80 AGPAT2 (0.56) AGPAT2APPMAPTLMNANPC1
SCHEMBL4360661 0.77 AGPAT2 (0.68) AGPAT2MAPTLMNANPC1RAB9A
SCHEMBL4362048 0.74 AGPAT2 (0.81) AGPAT2GPR68MAPTLMNANPC1
SCHEMBL2622387 0.74 AGPAT2 (0.66) AGPAT2APPGPR68MAPTLMNA
SCHEMBL28051439 0.73 LMNA (0.55) AGPAT2MAPTLMNANPC1RAB9A
SCHEMBL4364303 0.72 AGPAT2 (0.67) AGPAT2APPMAPTNPC1RAB9A
SCHEMBL2622386 0.72 AGPAT2 (0.67) AGPAT2GPR68MAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 AGPAT2 1226/4885APP 3745/4885GPR68 3281/4885

“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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