Sugi Predict

Sugi Predict / Compounds / SCHEMBL3756523

SCHEMBL3756523

SCHEMBL3756523

COc1cc(CNc2ncnc3c2cnn3-c2cc(C)cc(C)c2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.58
▸ LMNA P02545 8/20 0.58
▸ HSD17B10 Q99714 6/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ HPGD P15428 5/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ MAPT P10636 9/20 0.57
▸ TP53 P04637 4/20 0.57
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ PDE5A O76074 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ RXFP1 Q9HBX9 3/20 0.53
▸ MAPK10 P53779 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ HTT P42858 2/20 0.52

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
SCHEMBL3757527 0.90 KDM4E (0.73) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL3763448 0.89 MAPT (0.61) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL3763355 0.84 MAPT (0.78) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL13058217 0.83 KDM4E (0.58) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL13058243 0.82 KDM4E (0.59) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL3761948 0.81 KDM4E (0.56) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL13058195 0.81 KDM4E (0.55) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL3399024 0.81 KDM4E (0.55) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL3755596 0.80 KDM4E (0.73) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL13058208 0.80 KDM4E (0.54) KDM4ELMNAHSD17B10ALDH1A1HPGD

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 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 KDM4E 1866/4885LMNA 4335/4885HSD17B10 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.