SCHEMBL2806301

SCHEMBL2806301

Cc1ccc(C)c(CNc2ncnc3nc[nH]c23)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.61
TSHR P16473 6/20 0.56
LMNA P02545 4/20 0.56
CYP1A2 P05177 4/20 0.56
CDK2 P24941 2/20 0.56
CYP2D6 P10635 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 4/20 0.53
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 4/20 0.53
RECQL P46063 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 4/20 0.52
ALOX15 P16050 2/20 0.52
KDR P35968 2/20 0.52
HIF1A Q16665 2/20 0.52
MEN1 O00255 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
KMT2A Q03164 1/20 0.52
CDC7 O00311 1/20 0.50

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
SCHEMBL4916503 0.85 PRMT1 (0.65) PRMT1TSHRLMNACYP1A2CDK2
SCHEMBL2803804 0.85 PRMT1 (0.58) PRMT1TSHRLMNACYP1A2CDK2
SCHEMBL2803774 0.85 PRMT1 (0.61) PRMT1TSHRLMNACYP1A2CDK2
SCHEMBL2809189 0.84 PRMT1 (0.60) PRMT1TSHRLMNACYP1A2CDK2
SCHEMBL2803662 0.84 LMNA (0.64) PRMT1TSHRLMNACYP1A2CDK2
SCHEMBL4922495 0.83 PRMT1 (0.59) PRMT1TSHRLMNACYP1A2CDK2
SCHEMBL4922673 0.81 PRMT1 (0.66) PRMT1TSHRLMNACYP1A2CDK2
SCHEMBL2806299 0.81 CYP3A4 (0.41) PRMT1TSHRLMNACYP1A2CDK2
SCHEMBL4924010 0.80 LMNA (0.64) PRMT1TSHRLMNACYP1A2CDK2
SCHEMBL2809351 0.80 PRMT1 (0.55) PRMT1TSHRLMNACYP1A2CDK2

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-2203451-B1 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2014-07-30 EP claimed
US-20130130906-A1 SUBSTITUTED 6-(ALKYLBENZYLAMINO) PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES FREIE UNIVERSITAT BERLIN (DE) 2013-05-23 US claimed
US-20100240537-A1 Substituted 6-(alkylbenzylamino)purine derivatives for use as cytokinin receptor antagonists and preparations containing these derivatives FREIE UNIVERSITAT BERLIN (DE) 2010-09-23 US claimed
EP-2203451-A2 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita palackeho V Olomouci (CZ) 2010-07-07 EP claimed
WO-2009043320-A2 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2009-04-09 WO claimed
EP-2203451-B1 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2014-07-30 EP disclosed
US-20130130906-A1 SUBSTITUTED 6-(ALKYLBENZYLAMINO) PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES FREIE UNIVERSITAT BERLIN (DE) 2013-05-23 US disclosed
US-20100240537-A1 Substituted 6-(alkylbenzylamino)purine derivatives for use as cytokinin receptor antagonists and preparations containing these derivatives FREIE UNIVERSITAT BERLIN (DE) 2010-09-23 US disclosed
EP-2203451-A2 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita palackeho V Olomouci (CZ) 2010-07-07 EP disclosed
WO-2009043320-A2 SUBSTITUTED 6-(ALKYLBENZYLAMINO)PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2009-04-09 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-20130130906-A1 SUBSTITUTED 6-(ALKYLBENZYLAMINO) PURINE DERIVATIVES FOR USE AS CYTOKININ RECEPTOR ANTAGONISTS AND PREPARATIONS CONTAINING THESE DERIVATIVES ADORA2A, ADORA1, GART PRMT1 1218/4885TSHR 66/4885LMNA 3801/4885
US-20100240537-A1 Substituted 6-(alkylbenzylamino)purine derivatives for use as cytokinin receptor antagonists and preparations containing these derivatives ADORA2A, P2RY6, P2RY1 PRMT1 1228/4885TSHR 98/4885LMNA 4026/4885

“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.