SCHEMBL4152240

SCHEMBL4152240

Nc1nc(SCc2ccccc2)nc2[nH]cnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
CXCR2 P25025 1/20 0.48
ALOX15 P16050 1/20 0.48
POLB P06746 1/20 0.47
PIN1 Q13526 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CNR2 P34972 1/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
LMNA P02545 1/20 0.41
CDC7 O00311 2/20 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
SCHEMBL30716878 1.00 RAB9A (0.51) RAB9ASMN1; SMN2NPC1CXCR2ALOX15
SCHEMBL27157684 0.88 ABCB1 (0.55) RAB9ASMN1; SMN2NPC1CXCR2POLB
SCHEMBL2999002 0.83 KMT2A (0.46) RAB9ASMN1; SMN2NPC1ALOX15POLB
SCHEMBL2996508 0.83 HSD17B10 (0.45) RAB9ASMN1; SMN2NPC1CXCR2ALOX15
SCHEMBL1620981 0.80 PAK4 (0.49) RAB9ASMN1; SMN2NPC1ALOX15POLB
SCHEMBL3002685 0.80 METAP2 (0.50) RAB9ASMN1; SMN2NPC1CXCR2ALOX15
SCHEMBL3855027 0.79 NPC1 (0.47) RAB9ASMN1; SMN2NPC1CXCR2HSP90AA1
SCHEMBL27158283 0.78 CXCR2 (0.43) RAB9ASMN1; SMN2NPC1CXCR2HSD17B10
SCHEMBL4408534 0.78 HSP90AA1 (0.39) RAB9ASMN1; SMN2PIN1HSP90AA1HSD17B10
SCHEMBL2115655 0.78 PIN1 (0.64) RAB9ASMN1; SMN2NPC1ALOX15POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368164-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF ASTROCYTE PHARMACEUTICALS, INC. 2024-11-07 US disclosed
EP-4329773-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF Astrocyte Pharmaceuticals, Inc. (US) 2024-03-06 EP disclosed
CN-117241803-A Purine nucleosides, intermediates and methods of making the same 阿斯特罗赛特制药公司 2023-12-15 CN disclosed
WO-2022232810-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF ASTROCYTE PHARMACEUTICALS, INC. (US) 2022-11-03 WO disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed
CN-101072787-A Substituted adenines and the use thereof ASTRAZENECA AB (SE) 2007-11-14 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 (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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 RAB9A 2278/4885SMN1; SMN2 3163/4885NPC1 2463/4885
US-20240368164-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF NUDT1, PNP, UMPS RAB9A 3081/4885SMN1; SMN2 293/4885NPC1 512/4885

“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.