SCHEMBL2811750

SCHEMBL2811750

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(N5CCCCC5)nc2c34)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GALR2 O43603 1/20 0.41
GALR1 P47211 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
PDE10A Q9Y233 3/20 0.40
CLPP Q16740 2/20 0.40
BRS3 P32247 2/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
CCNE2 O96020 1/20 0.37
CCNE1 P24864 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
SCHEMBL2814404 0.92 HRH4 (0.44) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2809473 0.92 TSHR (0.42) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL538222 0.91 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2SIGMAR1PDE10A
SCHEMBL2814817 0.88 KDM4E (0.42) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2808261 0.88 TSHR (0.45) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2808405 0.88 CFTR (0.49) HTTMEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL2809932 0.87 ALDH1A1 (0.42) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2811678 0.86 CCNE2 (0.39) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2809524 0.85 ADORA2A (0.40) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2813881 0.85 HRH3 (0.41) HTTMEN1KMT2ASMN1; SMN2NPSR1

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 HTT 2797/4885MEN1 1767/4885KMT2A 2836/4885

“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.