SCHEMBL2229901

SCHEMBL2229901

Cc1nc(N2CCCC2)c2nc[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.43
MAP2K7 O14733 1/20 0.42
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 1/20 0.41
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 2/20 0.40
AKT2 P31751 1/20 0.40
MAP3K5 Q99683 1/20 0.40

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
SCHEMBL14071956 0.98 NPY5R (0.46) NPY5RMAP2K7MAPK1HSD17B10L3MBTL1
SCHEMBL14071958 0.86 MAP2K7 (0.45) NPY5RMAP2K7MAPK1HSD17B10LMNA
SCHEMBL20171876 0.81 HTT (0.41) MAPK1HSD17B10HTTTP53LMNA
SCHEMBL8830247 0.81 CHUK (0.48) MAP2K7MAPK1HTTTP53LMNA
SCHEMBL14183741 0.81 HTT (0.41) MAPK1HSD17B10HTTTP53LMNA
SCHEMBL20171912 0.80 HTT (0.38) MAPK1MEN1KMT2AHTTTP53
SCHEMBL14183739 0.79 ADORA3 (0.42) MAPK1HTTTP53LMNAALOX15
SCHEMBL8830437 0.79 CHUK (0.50) NPY5RMAP2K7MAPK1HTTTP53
SCHEMBL8826309 0.79 CHUK (0.50) NPY5RMAP2K7MAPK1HTTTP53
SCHEMBL20171924 0.79 LMNA (0.50) MAPK1L3MBTL1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 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 (1 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-20100160352-A1 ADENINE DERIVATIVES HSP90AA1, TRAP1, HSP90AB1 NPY5R 3302/4885MAP2K7 2926/4885MAPK1 782/4885

“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.