SCHEMBL2809530

SCHEMBL2809530

COc1ccc(CN2CCC3NN(C)c4nc(N5CCOCC5)nc2c43)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE10A Q9Y233 1/20 0.40
MAPK1 P28482 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PIK3CA P42336 4/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MTOR P42345 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
SRC P12931 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2811683 0.90 PTGIR (0.40) SMN1; SMN2MAPK1KDM4EALDH1A1GAA
SCHEMBL2809519 0.90 HTR6 (0.45) MAPTL3MBTL1MEN1KMT2AMAPK1
SCHEMBL2812073 0.89 DNMT3A (0.43) MAPTL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL538223 0.87 MAPT (0.41) MAPTL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL2810409 0.86 SRC (0.43) SMN1; SMN2MEN1KMT2AKDM4ETDP1
SCHEMBL2810429 0.85 KDM4E (0.44) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2815921 0.84 TSHR (0.42) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL2811869 0.84 MAPT (0.43) MAPTL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL2809870 0.84 PIK3CA (0.46) MAPTSMN1; SMN2MAPK1PIK3CAKDM4E
SCHEMBL2809447 0.83 TSHR (0.37) L3MBTL1MEN1KMT2AKDM4E

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 2947/4885L3MBTL1 4501/4885SMN1; 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.