SCHEMBL9921364

SCHEMBL9921364

Clc1ccc2ncnc(NCc3ccccc3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.72
▸ HTT P42858 3/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ PIK3CD O00329 2/20 0.72
▸ PIK3R1 P27986 2/20 0.72
▸ EGFR P00533 6/20 0.71
▸ GALR3 O60755 2/20 0.68
▸ NR2F2 P24468 2/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ MAPK1 P28482 3/20 0.67
▸ TSHR P16473 2/20 0.67
▸ CLK4 Q9HAZ1 4/20 0.63
▸ ALDH1A1 P00352 4/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ PDE5A O76074 1/20 0.62
▸ CYP1A2 P05177 4/20 0.62
▸ CYP2D6 P10635 4/20 0.62
▸ CNR1 P21554 1/20 0.61
▸ CNR2 P34972 1/20 0.61

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
SCHEMBL9921508 0.91 HTT (0.74) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL13192048 0.87 HTT (0.61) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL9921509 0.86 PIK3CD (0.85) LMNAHTTPIK3CDPIK3R1EGFR
SCHEMBL13192093 0.86 EGFR (0.67) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL13192081 0.86 HTT (0.64) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL17845927 0.84 LMNA (1.00) LMNAHTTSMN1; SMN2EGFRGALR3
SCHEMBL9921357 0.84 PIK3CD (1.00) LMNAHTTSMN1; SMN2PIK3CDPIK3R1
SCHEMBL7500991 0.83 PDE5A (0.67) HTTSMN1; SMN2PIK3CDPIK3R1EGFR
SCHEMBL1734678 0.83 LMNA (0.72) LMNAHTTSMN1; SMN2EGFRGALR3
SCHEMBL13192092 0.83 CNR1 (0.78) LMNAHTTSMN1; SMN2EGFRNR2F2

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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 — — US disclosed
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 — — US disclosed
WO-2012079079-A1 PRODUCTION OF INDUCED PLURIPOTENT STEM CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-06-14 — — WO disclosed
WO-2011011522-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-27 — — 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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 LMNA 3469/4885HTT 4078/4885SMN1; SMN2 3442/4885

“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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