SCHEMBL29942654

SCHEMBL29942654

c1ccc2nc(-c3cnc4ccccc4n3)cnc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
BCHE P06276 1/20 0.63
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
MAPK10 P53779 2/20 0.61
HSD17B10 Q99714 2/20 0.61
GAA P10253 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
ADORA3 P0DMS8 3/20 0.59
ADORA2A P29274 1/20 0.59
ADORA1 P30542 1/20 0.59
PDE10A Q9Y233 1/20 0.56
CYP1A2 P05177 1/20 0.55
MAPT P10636 4/20 0.53
GPR3 P46089 1/20 0.52
MEN1 O00255 1/20 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
SCHEMBL29966674 1.00 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL3076524 1.00 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL29614829 1.00 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL28395491 0.87 NPC1 (0.57) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL4954320 0.87 NPC1 (0.81) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL3686490 0.87 KDM4E (0.58) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL30161801 0.87 KDM4E (0.58) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL28473904 0.87 NPC1 (0.52) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL29371290 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL87505 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2BCHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701377-B2 Methods for treating cancers by prodrugs of clofarabine BoYen Therapeutics, Inc. (TW) 2023-07-18 US disclosed
EP-3529254-B1 PRODRUGS OF CLOFARABINE WU LAURENCE I (TW) 2023-02-22 EP disclosed
CN-111407887-B Cyclooxygenase-targeted near-infrared dye metal complex photosensitizer and preparation and application thereof 深圳先进技术研究院 2022-09-20 CN 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-11701377-B2 Methods for treating cancers by prodrugs of clofarabine FOLR1, DHFR, CBR1 NPC1 1196/4885RAB9A 1398/4885SMN1; SMN2 2300/4885

“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.