SCHEMBL2809639

SCHEMBL2809639

COc1ccc(CN2CCC3NNc4nc(N5CCN(Cc6ccccc6)CC5)nc2c43)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
NTSR1 P30989 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DNMT3A Q9Y6K1 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 1/20 0.42
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 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
SCHEMBL2814053 1.00 SIGMAR1 (0.48) SIGMAR1LMNAALDH1A1HTTKDM4E
SCHEMBL2812017 0.88 EHMT2 (0.38) LMNAALDH1A1HTTMAPK1DNMT3A
SCHEMBL2810802 0.87 CASP1 (0.43) SIGMAR1LMNAALDH1A1HTTKDM4E
SCHEMBL2810498 0.87 DNMT3A (0.44) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL2811869 0.86 MAPT (0.43) ALDH1A1HTTKDM4EMAPK1MEN1
SCHEMBL538336 0.86 MAPT (0.37) LMNAALDH1A1HTTMAPK1MEN1
SCHEMBL2809502 0.85 HTR6 (0.41) ALDH1A1HTTKDM4ERAB9A
SCHEMBL2808374 0.85 CASP1 (0.47) SIGMAR1LMNAALDH1A1HTTKDM4E
SCHEMBL2813108 0.85 NTSR1 (0.43) SIGMAR1MAPK1NTSR1
SCHEMBL2812365 0.84 DRD4 (0.39) ALDH1A1HTTKDM4EDNMT3AGAA

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 2 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-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 4535/4885LMNA 2815/4885ALDH1A1 924/4885

“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.