SCHEMBL20658725

SCHEMBL20658725

Cc1ccc(-c2nc(N)c(C#N)nc2Br)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 14/20 0.45
▸ ALDH1A1 P00352 14/20 0.45
▸ MAPT P10636 10/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HPGD P15428 12/20 0.42
▸ MEN1 O00255 8/20 0.42
▸ KMT2A Q03164 8/20 0.42
▸ PKM P14618 7/20 0.42
▸ GAA P10253 7/20 0.42
▸ HSD17B10 Q99714 7/20 0.42
▸ ALOX12 P18054 5/20 0.42
▸ ALOX15 P16050 5/20 0.42
▸ GLA P06280 4/20 0.42
▸ HTT P42858 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ CASP1 P29466 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL22579091 0.83 ALDH1A1 (0.48) KDM4EALDH1A1MAPTMAPK1HPGD
SCHEMBL21722540 0.80 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMAPK1HPGD
SCHEMBL20666152 0.74 ALDH1A1 (0.43) KDM4EALDH1A1MAPTMAPK1HPGD
SCHEMBL20658616 0.72 ALDH1A1 (0.52) KDM4EALDH1A1MAPTMAPK1HPGD
SCHEMBL30738272 0.71 ADORA2A (0.42) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL20392820 0.71 ADORA2A (0.42) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL20658479 0.70 KDM4E (0.36) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL21722433 0.69 KDM4E (0.38) KDM4EALDH1A1MAPTMAPK1HPGD
SCHEMBL8895760 0.69 LMNA (0.40) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10782113 0.68 USP8 (0.38) KDM4EHTTUSP8SMN1; SMN2RXFP1

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 6 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
EP-3654978-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS Nuvation Bio Inc. (US) 2020-05-27 — — EP disclosed
CN-111163780-A Heterocyclic compounds as adenosine antagonists 诺维逊生物股份有限公司 2020-05-15 — — CN disclosed
WO-2019018584-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS GiraFpharma LLC (US) 2019-01-24 — — WO 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 KDM4E 4200/4885ALDH1A1 2100/4885MAPT 4850/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 KDM4E 4200/4885ALDH1A1 2100/4885MAPT 4850/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 KDM4E 4200/4885ALDH1A1 2100/4885MAPT 4850/4885

“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.

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