SCHEMBL5440581

SCHEMBL5440581

c1nc2ccc([C]3CCCCCCC3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ APP P05067 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43
▸ PFKFB3 Q16875 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TGFBR1 P36897 7/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL5442036 1.00 DYRK1A (0.53) DYRK1AL3MBTL1NPC1RAB9AKDM4E
SCHEMBL31214345 0.81 DYRK1A (0.72) DYRK1AL3MBTL1NPC1RAB9AKDM4E
SCHEMBL23480164 0.73 DYRK1A (0.57) DYRK1AL3MBTL1NPC1RAB9AKDM4E
SCHEMBL6032917 0.73 DYRK1A (0.62) DYRK1AL3MBTL1NPC1RAB9AKDM4E
SCHEMBL27558183 0.71 DYRK1A (0.60) DYRK1AL3MBTL1NPC1RAB9AKDM4E
SCHEMBL16573976 0.71 DYRK1A (0.60) DYRK1AL3MBTL1NPC1RAB9AKDM4E
SCHEMBL22130152 0.71 DYRK1A (0.70) DYRK1AL3MBTL1NPC1RAB9AKDM4E
SCHEMBL24155396 0.71 DYRK1A (0.60) DYRK1AL3MBTL1NPC1RAB9AKDM4E
SCHEMBL6658073 0.71 DYRK1A (0.60) DYRK1AL3MBTL1NPC1RAB9AKDM4E
SCHEMBL17691820 0.70 DYRK1A (0.63) DYRK1AL3MBTL1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249639-A1 Use of 9H-Purine-2,6-Diamine Derivatives in the Treatment of Proliferative Diseases and Novel 9H-Purine-2,6-Diamine Derivatives BAENTELI ROLF 2007-10-25 — — 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-20070249639-A1 Use of 9H-Purine-2,6-Diamine Derivatives in the Treatment of Proliferative Diseases and Novel 9H-Purine-2,6-Diamine Derivatives HPRT1, NUDT1, DPYD DYRK1A 1159/4885L3MBTL1 3821/4885NPC1 1910/4885

“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.

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