Sugi Predict

Sugi Predict / Compounds / SCHEMBL3757355

SCHEMBL3757355

SCHEMBL3757355

COCCOc1ccc(CNc2ncnc3c2cnn3-c2cccc(C)c2)cc1OCCOC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 14/20 0.68
▸ ALDH1A1 P00352 10/20 0.68
▸ HSD17B10 Q99714 8/20 0.68
▸ HPGD P15428 7/20 0.68
▸ SMN1; SMN2 Q16637 7/20 0.68
▸ LMNA P02545 7/20 0.68
▸ MEN1 O00255 6/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ MAPT P10636 9/20 0.64
▸ MAPK1 P28482 3/20 0.64
▸ TSHR P16473 2/20 0.64
▸ EGFR P00533 1/20 0.64
▸ RAB9A P51151 8/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ POLB P06746 1/20 0.64
▸ HTT P42858 4/20 0.61
▸ MAPK10 P53779 1/20 0.59
▸ KCNK2 O95069 1/20 0.58
▸ TP53 P04637 4/20 0.58

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
SCHEMBL3761948 0.92 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3753970 0.90 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL13058259 0.90 KDM4E (0.72) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3763688 0.89 KDM4E (0.74) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3755596 0.89 KDM4E (0.73) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3751650 0.88 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3761917 0.88 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3757277 0.86 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3757527 0.83 KDM4E (0.73) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3759099 0.83 KDM4E (0.79) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2

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-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 309/4885HSD17B10 4410/4885

“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.