SCHEMBL2812306

SCHEMBL2812306

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(NCCN5CCOCC5)nc2c34)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.45
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PDE5A O76074 2/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
EGFR P00533 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ACP1 P24666 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL13146334 0.91 LMNA (0.48) LMNARAB9APIK3CAMTORMEN1
SCHEMBL2809862 0.89 PIK3CA (0.47) LMNARAB9APIK3CAMTORMAPK1
SCHEMBL2814449 0.87 ADORA3 (0.42) ALDH1A1SMN1; SMN2MAPT
SCHEMBL2808269 0.86 CLPP (0.48) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL2814236 0.85 CLPP (0.39) LMNAKMT2AALDH1A1HPGDMAPT
SCHEMBL2812217 0.84 ADORA3 (0.44) RAB9AMAPK1MEN1KMT2AALDH1A1
SCHEMBL2812906 0.84 CLPP (0.40) LMNAMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL13145454 0.84 CLPP (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL2809628 0.84 CLPP (0.38) LMNAMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL2810351 0.84 OPRK1 (0.41) LMNAMAPK1MEN1KMT2ASMN1; SMN2

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 LMNA 2815/4885RAB9A 2575/4885PIK3CA 74/4885

“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.