SCHEMBL3002843

SCHEMBL3002843

CSc1nc(Nc2ccccc2)c2[nH]cnc2n1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
SRC P12931 2/20 0.53
CDK2 P24941 1/20 0.51
BRAF P15056 1/20 0.48
ADORA3 P0DMS8 3/20 0.47
ADORA2A P29274 3/20 0.47
ADORA1 P30542 3/20 0.47

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
SCHEMBL15122014 0.86 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19SRC
SCHEMBL3002688 0.82 POLB (0.52) SRCCDK2BRAF
SCHEMBL11015321 0.81 SRC (0.56) SRCCDK2BRAFADORA3ADORA2A
SCHEMBL459414 0.80 ADORA3 (0.68) SRCCDK2BRAFADORA3ADORA2A
SCHEMBL17372399 0.79 CYP2C19 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19BRAF
SCHEMBL31012324 0.79 CYP2C19 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19BRAF
SCHEMBL16146440 0.79 SRC (0.54) SRCCDK2BRAFADORA3ADORA2A
SCHEMBL3002841 0.79 LMNA (0.46) SRCCDK2
SCHEMBL16146744 0.78 BRAF (0.58) SRCCDK2BRAFADORA3ADORA2A
SCHEMBL16146541 0.78 TNNI3K (0.62) SRCCDK2BRAFADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662194-B2 Substituted 6-anilino-9-heterocyclylpurine derivatives for inhibition of plant stress UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-05-26 US disclosed
EP-3233860-B1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS UNIV PALACKEHO (CZ) 2020-01-29 EP disclosed
US-20170342072-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2017-11-30 US disclosed
EP-3233860-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS Univerzita Palackého V Olomouci (CZ) 2017-10-25 EP disclosed
WO-2016095881-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-23 WO disclosed
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10662194-B2 Substituted 6-anilino-9-heterocyclylpurine derivatives for inhibition of plant stress TPMT, MTAP, ATIC CYP1A2 220/4885CYP3A4 388/4885CYP2D6 20/4885
US-20100190806-A1 SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES DPYD, XDH, APRT CYP1A2 243/4885CYP3A4 457/4885CYP2D6 39/4885
US-20170342072-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS TPMT, MTAP, ATIC CYP1A2 220/4885CYP3A4 388/4885CYP2D6 20/4885

“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.