SCHEMBL842038

SCHEMBL842038

COc1ccc(Cc2ccc3nc(N)c(N)c(NCC(C)C)c3c2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
LTA4H P09960 1/20 0.36
APP P05067 1/20 0.35
HPGD P15428 1/20 0.35
MPO P05164 1/20 0.35
CSF1R P07333 1/20 0.34
NTRK2 Q16620 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7823333 0.87 ESR1 (0.38) TLR8TLR7MAPT
Hydrochloric Acid SCHEMBL7834755 0.86 ESR1 (0.38) TLR8TLR7MAPT
SCHEMBL29809256 0.84 ALDH1A1 (0.55) ALDH1A1CYP2D6ATMNPSR1LMNA
SCHEMBL29121439 0.84 ALDH1A1 (0.55) ALDH1A1CYP2D6ATMNPSR1LMNA
SCHEMBL7832293 0.74 LMNA (0.43) ALDH1A1NPSR1LMNAPOLBHPGD
SCHEMBL29809123 0.74 ATM (0.46) ALDH1A1CYP2D6ATMNPSR1LMNA
SCHEMBL29121426 0.74 ATM (0.46) ALDH1A1CYP2D6ATMNPSR1LMNA
SCHEMBL843722 0.73 TLR7 (0.43) ALDH1A1CYP2D6ATMNPSR1TLR8
SCHEMBL843185 0.73 TLR7 (0.41) ALDH1A1CYP2D6ATMNPSR1TLR8
SCHEMBL7832002 0.72 TLR7 (0.33) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 ALDH1A1 1223/4885CYP2D6 1504/4885ATM 3650/4885

“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.