SCHEMBL2622386

SCHEMBL2622386

COc1ccc(F)cc1-c1nc(N)nc(Nc2ccc(C)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 6/20 0.67
ALDH1A1 P00352 2/20 0.54
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GPR68 Q15743 1/20 0.47
RAD52 P43351 1/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC2A1 P11166 1/20 0.46
USP2 O75604 2/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CHRNA7 P36544 1/20 0.45
PIK3CA P42336 1/20 0.44
JAK2 O60674 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL13622454 0.90 AGPAT2 (0.84) AGPAT2ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2622384 0.87 AGPAT2 (0.88) AGPAT2ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2622391 0.87 AGPAT2 (0.69) AGPAT2ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL4362545 0.86 AGPAT2 (0.86) AGPAT2ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL4366486 0.81 AGPAT2 (1.00) AGPAT2ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2622388 0.78 AGPAT2 (0.88) AGPAT2ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL27815706 0.77 AGPAT2 (0.61) AGPAT2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL13622456 0.77 AGPAT2 (0.86) AGPAT2ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4358727 0.77 AGPAT2 (0.86) AGPAT2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL14769763 0.76 AGPAT2 (0.65) AGPAT2ALDH1A1MAPTSMN1; SMN2GPR68

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-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 (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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 AGPAT2 1226/4885ALDH1A1 1469/4885MAPT 2526/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 AGPAT2 1226/4885ALDH1A1 1469/4885MAPT 2526/4885

“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.