SCHEMBL2809631

SCHEMBL2809631

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(NCCc5ccc(Cl)c(Cl)c5)nc2c43)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
NR1I3 Q14994 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CLPP Q16740 1/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
KDM1A O60341 3/20 0.35

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
SCHEMBL2814452 0.93 SMN1; SMN2 (0.41) MAPTTLR7SMN1; SMN2ALDH1A1MEN1
SCHEMBL2810354 0.92 MAPT (0.39) MAPTTLR7SMN1; SMN2ALDH1A1MEN1
SCHEMBL2812911 0.91 MAPT (0.38) MAPTTLR7SMN1; SMN2ALDH1A1MEN1
SCHEMBL2812219 0.90 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2816710 0.89 EHMT2 (0.43) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2810452 0.89 NR1I3 (0.38) MAPTNR1I3CLK4SMN1; SMN2MEN1
SCHEMBL2813950 0.87 OGA (0.40) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2808272 0.86 ACHE (0.46) TLR7CLK4MEN1KMT2ACLPP
SCHEMBL2814240 0.85 ACHE (0.39) MAPTTLR7ALDH1A1MEN1KMT2A
SCHEMBL2812312 0.84 LMNA (0.45) MAPTCLK4SMN1; SMN2MEN1KMT2A

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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 MAPT 2947/4885NR1I3 2405/4885TLR7 3602/4885

“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.