SCHEMBL2811678

SCHEMBL2811678

COc1ccc(CN2CCc3nn(C)c4nc(N5CCCCC5)nc2c34)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
BRS3 P32247 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 3/20 0.39
PDE10A Q9Y233 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
GALR2 O43603 2/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL2809514 0.92 HTR6 (0.46) CCNE1CDK2MEN1KMT2AMAPK1
SCHEMBL2809527 0.90 MAPT (0.45) SMN1; SMN2MEN1KMT2AMAPK1PDE10A
SCHEMBL2812071 0.88 SMN1; SMN2 (0.43) SMN1; SMN2HTTNPSR1KMT2AMAPK1
SCHEMBL2810400 0.88 CFTR (0.46) HTTMEN1KMT2AGAAALDH1A1
SCHEMBL2810425 0.87 SMN1; SMN2 (0.44) SMN1; SMN2HTTALDH1A1LMNATSHR
SCHEMBL2811750 0.86 HTT (0.47) CCNE2CCNE1CDK2BRS3SMN1; SMN2
SCHEMBL13131680 0.86 ADORA3 (0.40) SMN1; SMN2MEN1KMT2AMAPK1GAA
SCHEMBL2815919 0.86 TSHR (0.43) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL13145459 0.86 NPC1 (0.39) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL2809446 0.84 TSHR (0.38) CCNE1CDK2GAAPDE10AALDH1A1

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 CCNE2 381/4885CCNE1 196/4885CDK2 8/4885

“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.