SCHEMBL3000771

SCHEMBL3000771

COc1ccc(Nc2nc(Cl)nc3[nH]cnc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TTBK1 Q5TCY1 2/20 0.45
TTBK2 Q6IQ55 2/20 0.45
SRC P12931 2/20 0.43
AURKA O14965 1/20 0.43
SYK P43405 1/20 0.43
APP P05067 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 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
SCHEMBL30719583 0.85 NPC1 (0.54) SMN1; SMN2SRCSYKNPC1RAB9A
SCHEMBL3004036 0.85 NPC1 (0.54) SMN1; SMN2SRCSYKNPC1RAB9A
SCHEMBL4846337 0.84 TTBK1 (0.43) TTBK1TTBK2SRCCYP1A2CYP3A4
SCHEMBL8826303 0.84 BRAF (0.50) MAPTSMN1; SMN2TTBK1TTBK2KDM4E
SCHEMBL30162651 0.84 BRAF (0.50) MAPTSMN1; SMN2TTBK1TTBK2KDM4E
SCHEMBL2996501 0.82 AURKA (0.46) MAPTTTBK1TTBK2AURKASYK
SCHEMBL5840442 0.82 MKNK1 (0.47) TTBK1TTBK2AURKAAPP
SCHEMBL3001378 0.81 NFKB1 (0.46) MAPTMAPK1
SCHEMBL4898610 0.81 EGFR (0.48) NPC1MAPK1ADORA3ADORA2AADORA1
SCHEMBL14296926 0.81 ADORA3 (0.47) MAPTSMN1; SMN2KDM4ENPC1MAPK1

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 4 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
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO 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

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 MAPT 4484/4885SMN1; SMN2 4787/4885TTBK1 3002/4885

“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.