SCHEMBL20666221

SCHEMBL20666221

Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1Cl

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.58
ALDH1A1 P00352 1/20 0.43
ADORA1 P30542 3/20 0.42
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 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
SCHEMBL20666368 0.94 ADORA2A (0.60) ADORA2AALDH1A1ADORA1CCR1CCR8
SCHEMBL20667699 0.92 ADORA2A (0.58) ADORA2AALDH1A1ADORA1CCR1CCR8
SCHEMBL20666228 0.88 ADORA2A (0.57) ADORA2AALDH1A1ADORA1PTPN6PTPN11
SCHEMBL20666230 0.88 ADORA2A (0.55) ADORA2AALDH1A1ADORA1
SCHEMBL20666226 0.88 ADORA2A (0.55) ADORA2AALDH1A1ADORA1PTPN6PTPN11
SCHEMBL20666805 0.88 ADORA2A (0.57) ADORA2AALDH1A1ADORA1
SCHEMBL20667700 0.87 ADORA2A (0.54) ADORA2AALDH1A1ADORA1
SCHEMBL20666229 0.86 ADORA2A (0.53) ADORA2AALDH1A1ADORA1PTPN6PTPN11
SCHEMBL20666806 0.85 ADORA2A (0.55) ADORA2AALDH1A1ADORA1
SCHEMBL20667026 0.85 ADORA2A (0.68) ADORA2A

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
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 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 (3 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-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ALDH1A1 2100/4885ADORA1 3/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ALDH1A1 2100/4885ADORA1 3/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ALDH1A1 2100/4885ADORA1 3/4885

“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.