SCHEMBL3759099

SCHEMBL3759099

COc1ccc(CNc2ncnc3c2cnn3-c2cccc(C)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.79
ALDH1A1 P00352 11/20 0.79
HPGD P15428 9/20 0.79
HSD17B10 Q99714 8/20 0.79
LMNA P02545 8/20 0.79
MEN1 O00255 7/20 0.79
KMT2A Q03164 7/20 0.79
SMN1; SMN2 Q16637 7/20 0.79
NPSR1 Q6W5P4 4/20 0.79
MAPT P10636 12/20 0.77
RAB9A P51151 9/20 0.71
NPC1 O15118 7/20 0.71
POLB P06746 1/20 0.71
TP53 P04637 3/20 0.70
RXFP1 Q9HBX9 2/20 0.70
MAPK1 P28482 3/20 0.68
TSHR P16473 2/20 0.68
EGFR P00533 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.67
XBP1 P17861 1/20 0.66

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
SCHEMBL3763355 0.91 MAPT (0.78) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3763688 0.91 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13058219 0.89 MAPT (0.72) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3755596 0.88 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL31615192 0.88 KDM4E (0.82) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13058197 0.87 MAPT (0.69) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3761422 0.87 MAPT (0.69) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3757527 0.86 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13058210 0.84 MAPT (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13748250 0.84 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10LMNA

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 9 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
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 KDM4E 1866/4885ALDH1A1 309/4885HPGD 349/4885

“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.