SCHEMBL2812191

SCHEMBL2812191

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(NCc5ccc6c(c5)OCO6)nc2c43)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
DYRK1A Q13627 1/20 0.42
MCHR1 Q99705 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2808272 0.89 ACHE (0.46) ACHEBACE1MEN1KMT2ACLPP
SCHEMBL2810563 0.89 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2HPGDGAA
SCHEMBL2814133 0.86 ACHE (0.43) ALDH1A1SMN1; SMN2KDM4EACHEBACE1
SCHEMBL2813121 0.85 POLB (0.47) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL2811710 0.84 TUBB4A (0.43) ALDH1A1RAB9AKDM4ENPC1ACHE
SCHEMBL2814452 0.83 SMN1; SMN2 (0.41) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL2810390 0.83 TRPC5 (0.44) ALDH1A1MAPTSMN1; SMN2HPGDGAA
SCHEMBL2808419 0.83 TLR7 (0.38) ALDH1A1KDM4EACHEBACE1MEN1
SCHEMBL2812911 0.82 MAPT (0.38) ALDH1A1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL2810354 0.82 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2GAATP53

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 ALDH1A1 924/4885MAPT 2947/4885SMN1; SMN2 2524/4885

“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.