SCHEMBL639898

SCHEMBL639898

CSc1nc(Cl)c2[nH]cnc2n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.56
▸ HSP90AB1 P08238 3/20 0.55
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MAP3K5 Q99683 1/20 0.47
▸ XDH P47989 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLA1 P09884 1/20 0.40
▸ PDPK1 O15530 1/20 0.38
▸ GDA Q9Y2T3 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ CDK2 P24941 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ PNP P00491 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
Ribose (Furanose) SCHEMBL639319 0.80 HSP90AB1 (0.40) DPP4HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL9351658 0.79 CYP1A2 (0.51) DPP4HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL29728815 0.79 PDPK1 (0.59) DPP4HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL258583 0.79 PDPK1 (0.59) DPP4HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL31527929 0.79 CYP1A2 (0.51) DPP4HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL30834788 0.77 CYP1A2 (0.50) DPP4HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL31012324 0.76 CYP2C19 (0.63) HSP90AB1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL546891 0.76 CYP1A2 (0.49) DPP4HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL17372399 0.76 CYP2C19 (0.63) HSP90AB1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5998452 0.76 ADORA3 (0.55) DPP4HSP90AB1CYP1A2CYP3A4CYP2D6

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 40 patents — showing the first 20. 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-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 — — EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 — — US 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-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 — — US disclosed
EP-1097939-B1 Method for the synthesis of isoguanosine and of its 2'-derivatives BAYER AG (US) 2004-02-11 — — EP disclosed
EP-0778898-B1 REDUCTION OF NONSPECIFIC HYBRIDIZATION BY USING NOVEL BASE-PAIRING SCHEMES BAYER AG (US) 2002-11-13 — — EP disclosed
US-20010026918-A1 Reduction of nonspecific hybridization by using novel base-pairing schemes COLLINS MARK L (US) 2001-10-04 — — US disclosed
US-6232462-B1 SYNTHESIS OF AN ISOGUANOSINE DERIVATIVE USED AS ANTISENSE AND APTAMER THERAPEUTICS AND DRUG DISCOVERY BAYER CORPORATION 2001-05-15 — — US disclosed
EP-1097939-A2 Method for the synthesis of isoguanosine and its 2'-derivatives Bayer Corporation (US) 2001-05-09 — — EP disclosed
US-5780610-A OLIGONUCLEOTIDE APTAMERS INCLUDING COMPLEMENTARY NONNATURAL NUCLEOTIDE UNITS SIEMENS HEALTHCARE DIAGNOSTICS INC. 1998-07-14 — — US disclosed
US-5681702-A MINIMIZES BACKGROUND NOISE CHIRON CORPORATION (US) 1997-10-28 — — US disclosed
EP-0778898-A1 REDUCTION OF NONSPECIFIC HYBRIDIZATION BY USING NOVEL BASE-PAIRING SCHEMES CHIRON CORPORATION (US) 1997-06-18 — — EP disclosed
WO-1996006950-A9 REDUCTION OF NONSPECIFIC HYBRIDIZATION BY USING NOVEL BASE-PAIRING SCHEMES — 1997-05-09 — — WO disclosed
WO-1996006950-A1 REDUCTION OF NONSPECIFIC HYBRIDIZATION BY USING NOVEL BASE-PAIRING SCHEMES CHIRON CORPORATION (US) 1996-03-07 — — 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 (5 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP DPP4 1632/4885HSP90AB1 1296/4885CYP1A2 4184/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP DPP4 1464/4885HSP90AB1 1468/4885CYP1A2 4208/4885
US-10662194-B2 Substituted 6-anilino-9-heterocyclylpurine derivatives for inhibition of plant stress TPMT, MTAP, ATIC DPP4 3914/4885HSP90AB1 827/4885CYP1A2 220/4885
US-20010026918-A1 Reduction of nonspecific hybridization by using novel base-pairing schemes UNG, SAMHD1, RNGTT DPP4 1673/4885HSP90AB1 1214/4885CYP1A2 3279/4885
US-20170342072-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS TPMT, MTAP, ATIC DPP4 3914/4885HSP90AB1 827/4885CYP1A2 220/4885

“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.

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