SCHEMBL4969462

SCHEMBL4969462

Cc1ccc(-c2nc(O)cc(O)n2)o1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.44
ADORA1 P30542 12/20 0.44
ADORA3 P0DMS8 6/20 0.40
KAT8 Q9H7Z6 1/20 0.40
ADORA2B P29275 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALK Q9UM73 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5017768 0.88 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1490056 0.79 ADORA2A (0.56) ADORA2AADORA1KDM4ENPC1ALDH1A1
SCHEMBL4969679 0.76 ADORA2A (0.44) ADORA2AADORA1ADORA3ADORA2BTDP1
SCHEMBL12578009 0.69 TDP1 (0.67) ADORA2AADORA1KAT8TDP1KDM4E
SCHEMBL3096890 0.69 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL13849699 0.68 TDP1 (0.43) ADORA2AADORA1ADORA3TDP1KDM4E
SCHEMBL7073229 0.67 ADORA2A (0.43) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL10064162 0.67 TDP1 (0.62) ADORA2AADORA1TDP1KDM4ENPC1
SCHEMBL21929982 0.67 TDP1 (0.62) ADORA2AADORA1TDP1KDM4ENPC1
SCHEMBL11983826 0.67 TDP1 (0.62) ADORA2AADORA1TDP1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264161-B2 Heterocyclic adenosine receptor antagonists EXELIXIS, INC. (US) 2025-04-01 US disclosed
US-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 US disclosed
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2023-11-30 US disclosed
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2023-11-30 US disclosed
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2023-11-30 US disclosed
US-11718622-B2 Heterocyclic adenosine receptor antagonists EXELIXIS INC. (US) 2023-08-08 US disclosed
US-11718622-B2 Heterocyclic adenosine receptor antagonists EXELIXIS INC. (US) 2023-08-08 US disclosed
US-11718622-B2 Heterocyclic adenosine receptor antagonists EXELIXIS INC. (US) 2023-08-08 US disclosed
US-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2021-09-23 US disclosed
US-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2021-09-23 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
EP-1976851-A2 PHENOXY-SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-08 EP disclosed
WO-2007084914-A2 PHENOXY-SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2007-07-26 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 (7 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-20240317705-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885ADORA3 1858/4885
US-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 3/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885ADORA3 1858/4885
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 3/4885
US-11718622-B2 Heterocyclic adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 3/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885ADORA3 1858/4885
US-12264161-B2 Heterocyclic adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 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.