SCHEMBL2812911

SCHEMBL2812911

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(NCCc5cc(OC)cc(OC)c5)nc2c43)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TLR7 Q9NYK1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
KDM1A O60341 3/20 0.36
EHMT2 Q96KQ7 3/20 0.36
RCOR1 Q9UKL0 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MCHR1 Q99705 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 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 0.95 SMN1; SMN2 (0.41) MAPTSMN1; SMN2TLR7ALDH1A1ACHE
SCHEMBL2810354 0.94 MAPT (0.39) MAPTSMN1; SMN2TLR7ALDH1A1ACHE
SCHEMBL2812219 0.92 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1ACHEBACE1
SCHEMBL2809631 0.91 MAPT (0.37) MAPTSMN1; SMN2TLR7ALDH1A1ACHE
SCHEMBL2816710 0.91 EHMT2 (0.43) MAPTSMN1; SMN2ALDH1A1EHMT2KMT2A
SCHEMBL2813950 0.90 OGA (0.40) MAPTSMN1; SMN2ALDH1A1ACHEBACE1
SCHEMBL2808272 0.89 ACHE (0.46) TLR7ACHEBACE1EHMT2KMT2A
SCHEMBL2809955 0.88 MAPT (0.37) MAPTSMN1; SMN2TLR7ALDH1A1EHMT2
SCHEMBL2814240 0.87 ACHE (0.39) MAPTTLR7ALDH1A1ACHEBACE1
SCHEMBL2811021 0.86 BCHE (0.40) MAPTTLR7ACHEBACE1KDM1A

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 2947/4885SMN1; SMN2 2524/4885TLR7 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.