SCHEMBL9921344

SCHEMBL9921344

C[C@@H](Nc1ncnc2ccc(Cl)cc12)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.70
NR2F2 P24468 1/20 0.70
EGFR P00533 8/20 0.63
KRAS P01116 1/20 0.63
SOS1 Q07889 1/20 0.63
CNR1 P21554 4/20 0.60
CNR2 P34972 4/20 0.60
LMNA P02545 2/20 0.58
PIK3CA P42336 2/20 0.57
PRKDC P78527 1/20 0.57
DYRK1A Q13627 3/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
TNF P01375 1/20 0.53
RAB9A P51151 1/20 0.53
NOD1 Q9Y239 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53

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
SCHEMBL13170943 1.00 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL9921358 1.00 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL8975390 0.89 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL8974915 0.89 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL8975191 0.89 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL13283262 0.85 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL31505701 0.85 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL31505705 0.85 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL24577013 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL6992336 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1

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 GALR3 1497/4885NR2F2 2764/4885EGFR 2099/4885

“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.