SCHEMBL2996508

SCHEMBL2996508

Oc1nc(SCc2ccccc2)nc2[nH]cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
CNR2 P34972 1/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
PIN1 Q13526 1/20 0.41
METAP2 P50579 2/20 0.41
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
METAP1 P53582 1/20 0.41
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 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
SCHEMBL16920979 0.85 RAB9A (0.52) RAB9ASMN1; SMN2NPC1POLBCDC7
SCHEMBL30716878 0.83 RAB9A (0.51) HSD17B10RAB9ASMN1; SMN2NPC1CNR2
SCHEMBL2999002 0.83 KMT2A (0.46) HSD17B10RAB9ASMN1; SMN2NPC1CNR2
SCHEMBL4152240 0.83 RAB9A (0.51) HSD17B10RAB9ASMN1; SMN2NPC1CNR2
SCHEMBL27158283 0.81 CXCR2 (0.43) HSD17B10RAB9ASMN1; SMN2NPC1CNR2
SCHEMBL3002685 0.80 METAP2 (0.50) HSD17B10RAB9ASMN1; SMN2NPC1CNR2
SCHEMBL1620981 0.80 PAK4 (0.49) HSD17B10RAB9ASMN1; SMN2NPC1CNR2
SCHEMBL740822 0.78 PIN1 (0.56) HSD17B10RAB9ASMN1; SMN2NPC1ABL1
SCHEMBL16146156 0.75 PDE4A (0.47) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL31307875 0.75 MEN1 (0.53) HSD17B10RAB9ASMN1; SMN2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173173-B1 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2013-07-24 EP disclosed
US-8222260-B2 Substituted 6-anilinopurine derivatives as inhibitors of cytokinin oxidase/dehydrogenase and preparations containing these derivatives Univerzita Palackego V Olomouci (CZ) 2012-07-17 US disclosed
US-20100190806-A1 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2010-07-29 US disclosed
EP-0896063-B9 Method for the selection of genetically transformed cells and compounds for use in the method SYNGENTA PARTICIPATIONS AG (CH) 2010-05-26 EP disclosed
EP-2173173-A2 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita palackeho V Olomouci (CZ) 2010-04-14 EP disclosed
EP-0896063-B1 Method for the selection of genetically transformed cells and compounds for use in the method SYNGENTA PARTICIPATIONS AG (CH) 2009-09-23 EP disclosed
WO-2009003428-A2 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2009-01-08 WO disclosed
EP-0601092-B2 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD SYNGENTA PARTICIPATIONS AG (CH) 2006-11-15 EP disclosed
EP-0423805-B1 Condensed purine derivatives KYOWA HAKKO KOGYO KK (JP) 2000-08-23 EP disclosed
US-5994629-A Positive selection NOVARTIS AG (CH) 1999-11-30 US disclosed
EP-0601092-B1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD NOVARTIS AG (CH) 1999-07-07 EP disclosed
EP-0896063-A2 Method for the selection of genetically transformed cells and compounds for use in the method Novartis AG (CH) 1999-02-10 EP disclosed
EP-0601092-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD Novartis AG (CH) 1994-06-15 EP disclosed
US-5270316-A Condensed purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-12-14 US disclosed
WO-1993005163-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD SANDOZ LTD. (CH) 1993-03-18 WO disclosed
EP-0530129-A1 Method for the selection of genetically transformed cells and compounds for use in the method SANDOZ LTD. (CH) 1993-03-03 EP disclosed
EP-0423805-A2 Condensed purine derivatives KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1991-04-24 EP 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-20100190806-A1 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES DPYD, XDH, APRT HSD17B10 744/4885RAB9A 3935/4885SMN1; SMN2 4787/4885

“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.