SCHEMBL24296391

SCHEMBL24296391

CC(C)c1nc(N)nc(N(S)S)n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
HRH4 Q9H3N8 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
SCHEMBL13831512 0.81 ADORA2A (0.42) ADORA2AHRH4
SCHEMBL15994399 0.79 HRH4 (0.52) ADORA2AHRH4
SCHEMBL1425789 0.77 HRH4 (0.50) ADORA2AHRH4
SCHEMBL11591892 0.71 CRHR1 (0.36) ADORA2AHRH4
SCHEMBL7770550 0.69 HRH4 (0.44) ADORA2AHRH4
SCHEMBL6247828 0.67 HRH4 (0.43) ADORA2AHRH4
SCHEMBL11802553 0.65 HRH4 (0.34) ADORA2AHRH4
SCHEMBL6309389 0.64 HSP90AB1 (0.54) ADORA2AHRH4
SCHEMBL9186220 0.64 HRH4 (0.41) ADORA2AHRH4
SCHEMBL31192705 0.64 HSP90AB1 (0.54) ADORA2AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081397-A1 HYDROGEN-BONDED ORGANIC FRAMEWORK FOR SEPARATING ALKENES FROM ALKANES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-03-17 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-20220081397-A1 HYDROGEN-BONDED ORGANIC FRAMEWORK FOR SEPARATING ALKENES FROM ALKANES ALKBH3, ALKBH2, EPCAM ADORA2A 4238/4885HRH4 1238/4885

“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.