SCHEMBL13268654

SCHEMBL13268654

COc1cccc([C@@H](C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.57
ADORA1 P30542 4/20 0.57
P2RY1 P47900 4/20 0.56
P2RY2 P41231 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
SRC P12931 2/20 0.56
P2RX1 P51575 1/20 0.56
P2RX3 P56373 1/20 0.56
P2RX4 Q99571 1/20 0.56
P2RX2 Q9UBL9 1/20 0.56
ALDH1A1 P00352 1/20 0.56
NT5E P21589 1/20 0.55
NADK O95544 1/20 0.55
AHCY P23526 1/20 0.55
METTL3 Q86U44 1/20 0.55
DNPH1 O43598 1/20 0.55
PRKAB2 O43741 1/20 0.55
TRPM2 O94759 1/20 0.55
LDHA P00338 1/20 0.55
ADRB2 P07550 1/20 0.55

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
SCHEMBL13269118 1.00 DOT1L (0.57) DOT1LADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL13269145 0.90 PRKAG1 (0.60) DOT1LADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL13268788 0.90 PRKAG1 (0.60) DOT1LADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL13268853 0.90 PRKAG1 (0.60) DOT1LADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL13268819 0.89 ADORA1 (0.68) DOT1LADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL13268689 0.89 ADORA1 (0.68) DOT1LADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL13269093 0.89 ADORA1 (0.68) DOT1LADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL13269164 0.87 DOT1L (0.58) DOT1LADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL14696358 0.87 GNMT (0.64) DOT1LADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL13268721 0.86 DOT1L (0.56) DOT1LADORA1P2RY1P2RY2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US claimed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP claimed
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 US disclosed
CN-104382924-A N6-substituted adenosine derivative and N6-substituted adenine derivative and application thereof INST MATERIA MEDICA CAMS 2015-03-04 CN disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US disclosed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 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 (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-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 DOT1L 453/4885ADORA1 3/4885P2RY1 10/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 DOT1L 453/4885ADORA1 3/4885P2RY1 10/4885

“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.