SCHEMBL840324

SCHEMBL840324

Cc1cccc(-n2ncc3c(Cl)ncnc32)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.71
RAB9A P51151 12/20 0.71
KDM4E B2RXH2 7/20 0.71
HTT P42858 5/20 0.71
HSD17B10 Q99714 5/20 0.71
NPSR1 Q6W5P4 4/20 0.71
BLM P54132 1/20 0.71
SMN1; SMN2 Q16637 11/20 0.64
MAPT P10636 9/20 0.64
LMNA P02545 9/20 0.64
TP53 P04637 8/20 0.64
ALDH1A1 P00352 8/20 0.64
TSHR P16473 2/20 0.64
HPGD P15428 5/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59

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
SCHEMBL6224500 0.86 MAPT (0.65) KDM4EHTTHSD17B10NPSR1MAPT
SCHEMBL3425282 0.85 NPC1 (0.51) NPC1RAB9AKDM4EHTTHSD17B10
SCHEMBL839950 0.84 SLC2A1 (0.60) NPC1RAB9AKDM4EHTTHSD17B10
SCHEMBL8344595 0.83 GSK3B (0.54) NPC1RAB9AKDM4EHTTHSD17B10
SCHEMBL3428361 0.83 TP53 (0.50) NPC1RAB9AKDM4EHTTHSD17B10
SCHEMBL6225759 0.83 SLC2A1 (0.58) NPC1RAB9AKDM4EHTTHSD17B10
SCHEMBL13790393 0.83 NPC1 (1.00) NPC1RAB9AKDM4EHTTHSD17B10
SCHEMBL6269930 0.82 XDH (0.68) NPC1RAB9AKDM4EHSD17B10SMN1; SMN2
SCHEMBL30034914 0.82 ALDH1A1 (0.67) NPC1RAB9AKDM4EHTTHSD17B10
SCHEMBL2077026 0.82 ALDH1A1 (0.67) NPC1RAB9AKDM4EHTTHSD17B10

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 16 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-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 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
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
EP-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 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 (2 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 NPC1 552/4885RAB9A 3239/4885KDM4E 3541/4885
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS DPYD, TYMP, TYMS NPC1 4373/4885RAB9A 2990/4885KDM4E 1866/4885

“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.