SCHEMBL13058232

SCHEMBL13058232

COc1ccc(CNc2ncnc3c2cnn3-c2cc(C)cc(C)c2)cc1OCCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 8/20 0.57
HSD17B10 Q99714 6/20 0.57
KMT2A Q03164 4/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 3/20 0.57
NPSR1 Q6W5P4 4/20 0.56
RXFP1 Q9HBX9 2/20 0.56
MAPT P10636 5/20 0.54
TP53 P04637 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 4/20 0.50
MAPK1 P28482 3/20 0.50
TSHR P16473 3/20 0.49
MEN1 O00255 3/20 0.49
EGFR P00533 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NR2F2 P24468 1/20 0.49

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
SCHEMBL3758966 0.93 KDM4E (0.67) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL13058212 0.88 TP53 (0.56) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3757655 0.88 LMNA (0.62) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL13058183 0.86 EGFR (0.55) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3756483 0.86 TP53 (0.54) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL13058202 0.86 TP53 (0.53) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3763448 0.85 MAPT (0.61) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL13747890 0.83 TP53 (0.51) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3761948 0.82 KDM4E (0.56) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3767092 0.81 KDM4E (0.72) LMNAKDM4EALDH1A1HSD17B10KMT2A

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-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 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-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
WO-2009098715-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-08-13 WO 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 LMNA 4335/4885KDM4E 1866/4885ALDH1A1 309/4885

“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.