SCHEMBL2811109

SCHEMBL2811109

COc1cccc(CCNc2nc3c4c(n[nH]c4n2)CCN3Cc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
MAPT P10636 1/20 0.41
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
DRD4 P21917 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MLNR O43193 1/20 0.38
TP53 P04637 1/20 0.37
TYRO3 Q06418 1/20 0.37
CLPP Q16740 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL2813023 0.94 CLPP (0.38) SIGMAR1MAPTBCHEACHEROCK2
SCHEMBL2812210 0.93 SIGMAR1 (0.46) SIGMAR1MAPTROCK2ROCK1TP53
SCHEMBL2810268 0.91 CLPP (0.42) SIGMAR1MAPTCLPPADORA3ADORA2A
SCHEMBL2813934 0.91 CLPP (0.42) SIGMAR1MAPTCLPPADORA3ADORA2A
SCHEMBL2811032 0.88 CLPP (0.40) FFAR1ACHECLPP
SCHEMBL2812960 0.88 CLPP (0.40) SIGMAR1MAPTACHEROCK2ROCK1
SCHEMBL2812914 0.87 CLPP (0.40) SIGMAR1MAPTFFAR1FFAR4ACHE
SCHEMBL2812078 0.86 CLPP (0.40) FFAR1FFAR4CLPPGRK6
SCHEMBL538195 0.86 MAPT (0.42) MAPTCLPP
SCHEMBL537583 0.85 CLPP (0.49) SIGMAR1MAPTACHETP53CLPP

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 7 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 SIGMAR1 4535/4885MAPT 2947/4885FFAR1 3810/4885

“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.