SCHEMBL2816708

SCHEMBL2816708

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(NCCc5ccc(F)cc5)nc2c34)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.41
MAPT P10636 4/20 0.40
KCNH2 Q12809 2/20 0.40
CNR2 P34972 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KCNK3 O14649 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CLPP Q16740 1/20 0.38
HRH1 P35367 4/20 0.37
HRH4 Q9H3N8 3/20 0.37
MEN1 O00255 1/20 0.36
MLNR O43193 1/20 0.36
CACNA1F O60840 1/20 0.36
EED O75530 1/20 0.36

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
SCHEMBL2814449 0.96 ADORA3 (0.42) MAPTADORA3ADORA2AADORA1ALDH1A1
SCHEMBL2812217 0.92 ADORA3 (0.44) ACP1MAPTADORA3ADORA2AADORA1
SCHEMBL2812906 0.91 CLPP (0.40) MAPTADORA3ADORA2AADORA1KDM4E
SCHEMBL2810351 0.90 OPRK1 (0.41) MAPTADORA3ADORA2AADORA1CLPP
SCHEMBL2813947 0.89 ACP1 (0.38) ACP1MAPTADORA3ADORA2AADORA1
SCHEMBL2809628 0.89 CLPP (0.38) MAPTADORA3ADORA2AADORA1CLPP
SCHEMBL2809534 0.88 MAPT (0.40) ACP1MAPTKCNH2CNR2ADORA3
SCHEMBL2808269 0.88 CLPP (0.48) MAPTPOLBKDM4EALDH1A1CLPP
SCHEMBL2811020 0.86 PDE5A (0.40) MAPTADORA3ADORA2AADORA1POLB
SCHEMBL2814236 0.86 CLPP (0.39) MAPTKDM4EALDH1A1CLPPHRH1

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 6 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
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 ACP1 2147/4885MAPT 2947/4885KCNH2 3461/4885

“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.