SCHEMBL838331

SCHEMBL838331

O=C(CSc1ncnc2[nH]ncc12)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.66
▸ MAPT P10636 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MITF O75030 1/20 0.51
▸ KLF5 Q13887 1/20 0.51
▸ HPGD P15428 1/20 0.50
▸ POLB P06746 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ FLT3 P36888 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TEAD1 P28347 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL839341 0.80 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2TP53NPC1
SCHEMBL839165 0.78 ALDH1A1 (0.69) ALDH1A1MAPTMAPK1SMN1; SMN2TP53
SCHEMBL24846388 0.74 ENPP1 (0.70) ALDH1A1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL24847136 0.73 ALDH1A1 (0.73) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL14027517 0.69 POLB (0.65) ALDH1A1MAPTSMN1; SMN2TP53NPC1
SCHEMBL18689394 0.68 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2TP53NPC1
SCHEMBL7930206 0.67 RAB9A (0.65) ALDH1A1MAPTSMN1; SMN2TP53NPC1
SCHEMBL7735911 0.66 MITF (0.63) ALDH1A1MAPTSMN1; SMN2TP53NPC1
SCHEMBL517540 0.66 MITF (0.63) ALDH1A1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL3824110 0.66 MITF (0.63) ALDH1A1MAPTSMN1; SMN2TP53NPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 — — US disclosed
US-8071585-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
US-8071608-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 — — EP disclosed
WO-2010116176-A1 PYRAZOLO [4, 5-E] PYRIMIDINE DERIVATIVE AND ITS USE TO TREAT DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-10-14 — — WO disclosed
WO-2010116177-A1 A PYRAZOLO [4,5-E] PYRIMIDINE DERIVATIVE AND ITS USE TO TREAT DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-10-14 — — WO disclosed
US-20100261704-A1 THERAPEUTIC AGENTS 928 ASTRAZENECA AB (SE) 2010-10-14 — — US disclosed
US-20100261733-A1 THERAPEUTIC AGENTS 927 ASTRAZENECA AB (SE) 2010-10-14 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100261704-A1 THERAPEUTIC AGENTS 928 GCK, GCKR, GALK1 ALDH1A1 2144/4885MAPT 4030/4885MAPK1 773/4885
US-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 ALDH1A1 1918/4885MAPT 3944/4885MAPK1 569/4885
US-20100261733-A1 THERAPEUTIC AGENTS 927 GCK, GCKR, GALK1 ALDH1A1 2427/4885MAPT 3932/4885MAPK1 390/4885

“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.

Send feedback