SCHEMBL2806449

SCHEMBL2806449

Cc1ccc([N+](=O)[O-])c(CNc2ncnc3nc[nH]c23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.59
HSD17B10 Q99714 5/20 0.52
TSHR P16473 7/20 0.51
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 3/20 0.51
TP53 P04637 3/20 0.51
ALOX15 P16050 3/20 0.51
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
CDK2 P24941 1/20 0.49
KDR P35968 2/20 0.47
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 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
SCHEMBL2806360 0.91 PRMT1 (0.59) PRMT1HSD17B10TSHRLMNASMN1; SMN2
SCHEMBL4922345 0.87 CDC7 (0.57) PRMT1HSD17B10TSHRLMNASMN1; SMN2
SCHEMBL4916451 0.84 LMNA (0.65) PRMT1HSD17B10TSHRLMNASMN1; SMN2
SCHEMBL2806447 0.83 SLC29A1 (0.51) PRMT1TSHRLMNAHTTPRKCQ
SCHEMBL4916240 0.83 PRMT1 (0.62) PRMT1HSD17B10TSHRLMNASMN1; SMN2
SCHEMBL4924799 0.82 SMN1; SMN2 (0.61) PRMT1HSD17B10TSHRLMNASMN1; SMN2
SCHEMBL4920756 0.81 PRMT1 (0.59) PRMT1HSD17B10TSHRLMNASMN1; SMN2
SCHEMBL2810371 0.81 PRMT1 (0.65) PRMT1HSD17B10TSHRLMNASMN1; SMN2
SCHEMBL2805418 0.81 PRMT1 (0.65) PRMT1HSD17B10TSHRLMNASMN1; SMN2
SCHEMBL2809183 0.81 PRMT1 (0.65) PRMT1HSD17B10TSHRLMNASMN1; 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 3 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 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

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 1218/4885HSD17B10 3966/4885TSHR 66/4885
US-20100240537-A1 Substituted 6-(alkylbenzylamino)purine derivatives for use as cytokinin receptor antagonists and preparations containing these derivatives ADORA2A, P2RY6, P2RY1 PRMT1 1228/4885HSD17B10 3871/4885TSHR 98/4885

“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.