SCHEMBL2114806

SCHEMBL2114806

O=C(O)[C@@H]1CN=C(c2cncnc2)S1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
WNT1 P04628 1/20 0.32
DYRK1A Q13627 1/20 0.32
ATM Q13315 1/20 0.31
ABL1 P00519 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL2114800 1.00 HCAR2 (0.35) HCAR2WNT1DYRK1AATMABL1
SCHEMBL2114802 1.00 HCAR2 (0.35) HCAR2WNT1DYRK1AATMABL1
SCHEMBL2115909 0.83 KMO (0.44) HCAR2HDAC4
SCHEMBL2115910 0.83 KMO (0.44) HCAR2HDAC4
SCHEMBL2115911 0.83 KMO (0.44) HCAR2HDAC4
SCHEMBL10066933 0.82 HCAR2 (0.39) HCAR2ATMMAPT
SCHEMBL3414907 0.74 L3MBTL1 (0.33) ABL1
SCHEMBL2114030 0.72 AADAT (0.32)
SCHEMBL2114035 0.72 AADAT (0.32)
SCHEMBL3372129 0.70 HTR2B (0.46) NPC1MAPTPKMRAB9A

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-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE HCAR2 1182/4885WNT1 3774/4885DYRK1A 4192/4885

“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.