SCHEMBL3756483

SCHEMBL3756483

COc1ccc(CNc2ncnc3c2cnn3-c2cccc(C#N)c2)cc1OCCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
KDM4E B2RXH2 9/20 0.53
NPSR1 Q6W5P4 4/20 0.53
RXFP1 Q9HBX9 2/20 0.53
ALDH1A1 P00352 8/20 0.52
HSD17B10 Q99714 6/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
SLC2A1 P11166 1/20 0.48
SLC2A3 P11169 1/20 0.48
TSHR P16473 3/20 0.47
EGFR P00533 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL13058183 0.93 EGFR (0.55) TP53KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL13058202 0.92 TP53 (0.53) TP53KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL3758966 0.90 KDM4E (0.67) TP53KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL13747890 0.90 TP53 (0.51) TP53KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL13058212 0.89 TP53 (0.56) TP53KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL3753934 0.89 TP53 (0.59) TP53KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL13058221 0.87 KDM4E (0.55) TP53KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL13058232 0.86 LMNA (0.57) TP53KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL3761917 0.84 KDM4E (0.52) TP53KDM4ENPSR1RXFP1ALDH1A1
SCHEMBL3761971 0.83 TP53 (0.56) TP53KDM4ENPSR1RXFP1ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US claimed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US claimed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 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-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS DPYD, TYMP, TYMS TP53 66/4885KDM4E 1866/4885NPSR1 4029/4885

“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.