SCHEMBL786767

SCHEMBL786767

Clc1nc(Cl)c2ncn(C3CC3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
ADORA2A P29274 2/20 0.46
CHKA P35790 11/20 0.46
YTHDC1 Q96MU7 2/20 0.43
ADORA3 P0DMS8 3/20 0.42
CHKB Q9Y259 3/20 0.42
ADORA1 P30542 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL30332447 1.00 LMNA (0.50) LMNATP53ADORA2ACHKAYTHDC1
SCHEMBL30332114 0.93 ADORA2A (0.49) LMNATP53ADORA2AYTHDC1ADORA3
SCHEMBL16714635 0.93 ADORA2A (0.49) LMNATP53ADORA2ACHKAYTHDC1
SCHEMBL786455 0.93 ADORA2A (0.49) LMNATP53ADORA2AYTHDC1ADORA3
SCHEMBL786016 0.92 ADORA2A (0.50) LMNATP53ADORA2AYTHDC1ADORA3
SCHEMBL30584024 0.92 ADORA2A (0.50) LMNATP53ADORA2AYTHDC1ADORA3
SCHEMBL19553671 0.90 LMNA (0.55) LMNATP53ADORA2ACHKAADORA3
SCHEMBL19575552 0.90 LMNA (0.55) LMNATP53ADORA2ACHKAADORA3
SCHEMBL11961123 0.89 LMNA (0.48) LMNATP53ADORA2ACHKAYTHDC1
SCHEMBL30677364 0.89 LMNA (0.48) LMNATP53ADORA2ACHKAYTHDC1

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
EP-2438068-B1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2017-03-01 EP disclosed
US-9023857-B2 Substituted 6-(2-aminobenzylamino)purine derivatives, their use as medicaments and preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-05-05 US disclosed
EP-2391626-B1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-10-01 EP disclosed
US-8492391-B2 Substituted 6-(2-hydroxybenzylamino)purine derivatives, their use as medicaments and compositions containing these derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-07-23 US disclosed
EP-2438068-A1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2012-04-11 EP disclosed
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2012-03-22 US disclosed
EP-2391626-A2 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2011-12-07 EP disclosed
US-20110287111-A1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2011-11-24 US disclosed
WO-2010139289-A1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-12-09 WO disclosed
WO-2010085924-A2 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-08-05 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 (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-20110287111-A1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS CDK6, CCNI, CDK2 LMNA 1802/4885TP53 1013/4885ADORA2A 91/4885
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives CDK6, CCNI, CDK2 LMNA 1717/4885TP53 1245/4885ADORA2A 95/4885

“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.