Sugi Predict

Sugi Predict / Compounds / SCHEMBL3425282

SCHEMBL3425282

SCHEMBL3425282

Cc1cc(C)cc(-n2ncc3c(Cl)ncnc32)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ HTT P42858 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ BLM P54132 1/20 0.51
▸ GRM4 Q14833 1/20 0.51
▸ XDH P47989 1/20 0.49
▸ MAPT P10636 9/20 0.48
▸ LMNA P02545 7/20 0.48
▸ TP53 P04637 11/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PIP4K2A P48426 2/20 0.45

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
SCHEMBL840324 0.85 NPC1 (0.71) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL6269930 0.84 XDH (0.68) NPC1RAB9AKDM4EHSD17B10XDH
SCHEMBL13058282 0.81 NPC1 (0.51) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL27822388 0.81 NPC1 (0.74) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL1243487 0.78 XDH (0.52) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL11476904 0.78 RAB9A (0.63) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL30034914 0.78 ALDH1A1 (0.67) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL2077026 0.78 ALDH1A1 (0.67) NPC1RAB9AHTTKDM4EHSD17B10
SCHEMBL839601 0.77 RAB9A (0.55) NPC1RAB9AHTTKDM4EMAPT
SCHEMBL6071871 0.76 GSK3B (0.53) NPC1RAB9AHTTKDM4EHSD17B10

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 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
EP-2247596-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS Natco Pharma Limited (IN) 2010-11-10 — — EP 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 NPC1 4373/4885RAB9A 2990/4885HTT 4695/4885

“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.