Sugi Predict

Sugi Predict / Compounds / SCHEMBL2812014

SCHEMBL2812014

SCHEMBL2812014

COc1cc(OC)nc(CN2CCN(c3nc4c5c(n[nH]c5n3)CCN4Cc3ccccc3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.39
▸ CASP5 P51878 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HTR1A P08908 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 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
SCHEMBL2814050 0.87 SIGMAR1 (0.50) CASP1CASP5GAAALDH1A1LMNA
SCHEMBL2809635 0.87 SIGMAR1 (0.50) CASP1CASP5GAAALDH1A1LMNA
SCHEMBL2810490 0.84 MAPT (0.45) CASP1CASP5GAAALDH1A1SMN1; SMN2
SCHEMBL2809499 0.84 HTR6 (0.46) GAAALDH1A1HTTHTR3AKDM4E
SCHEMBL2813100 0.84 ADRA1D (0.44) HTR1AMAPK1HTR2AHTR2C
SCHEMBL2810794 0.83 GAA (0.45) CASP1CASP5GAAALDH1A1L3MBTL1
SCHEMBL2812360 0.83 DRD4 (0.43) CASP1CASP5GAAALDH1A1L3MBTL1
SCHEMBL13168897 0.83 LMNA (0.41) CASP1CASP5GAAALDH1A1L3MBTL1
SCHEMBL2808435 0.82 SIGMAR1 (0.48) CASP1CASP5GAAALDH1A1L3MBTL1
SCHEMBL2809641 0.82 ALDH1A1 (0.44) GAAALDH1A1TSHRKDM4EACHE

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 CASP1 1745/4885CASP5 574/4885GAA 1908/4885

“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.