SCHEMBL21236587

SCHEMBL21236587

CC1c2ccsc2CCN1C(=O)c1cc(C2CC2)n2nc(B3OC(C)(C)C(C)(C)O3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.35
HHAT Q5VTY9 4/20 0.32
KMT2A Q03164 1/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 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
SCHEMBL20064963 1.00 DRD1 (0.35) DRD1HHATKMT2ATRPC3TRPC6
SCHEMBL20064968 0.89 DRD1 (0.35) DRD1HHATKMT2ATRPC3TRPC6
SCHEMBL20064967 0.89 DRD1 (0.35) DRD1HHATKMT2ATRPC3TRPC6
SCHEMBL20064962 0.88 DRD1 (0.35) DRD1HHATKMT2ATRPC3TRPC6
SCHEMBL20064964 0.88 DRD1 (0.35) DRD1HHATKMT2ATRPC3TRPC6
SCHEMBL22654449 0.87 MGLL (0.31)
SCHEMBL22688408 0.87 MGLL (0.31)
SCHEMBL22491949 0.86 TRPC3 (0.41) DRD1TRPC3TRPC6
SCHEMBL29429523 0.86 TRPC3 (0.41) DRD1TRPC3TRPC6
SCHEMBL18198502 0.86 TRPC3 (0.41) DRD1TRPC3TRPC6

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-3746444-B1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2023-09-27 EP disclosed
US-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN-CILAG (FR) 2020-11-19 US disclosed
WO-2019149734-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2019-08-08 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 (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-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV ACE, ACE2, PTBP1 DRD1 4225/4885HHAT 2438/4885KMT2A 3527/4885

“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.