SCHEMBL104044

SCHEMBL104044

[c]1ccc2c(c1)COCO2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL1456280 0.84 ABCG2 (0.30) ABCG2
SCHEMBL3260298 0.82 LMNA (0.39) —
SCHEMBL20901 0.75 — —
SCHEMBL20662 0.72 — —
SCHEMBL965068 0.72 — —
SCHEMBL104215 0.71 — —
SCHEMBL27423032 0.70 ABCG2 (0.46) ABCG2
SCHEMBL121646 0.70 ABCG2 (0.52) ABCG2
SCHEMBL16402896 0.68 — —
SCHEMBL132193 0.68 CLK1 (0.36) —

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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504198-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2019-07-03 — — EP claimed
WO-2018044783-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-03-08 — — WO claimed
US-8404692-B2 Pyrimidin-4-yl-3, 4-dihydro-2H-pyrrolo [1,2A] pyrazin-1-one compounds CYCLACEL LIMITED (GB) 2013-03-26 — — US claimed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 — — US claimed
JP-4658037-B2 — — 2011-03-23 — — JP claimed
EP-1599467-B1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE LLC (US) 2010-05-19 — — EP claimed
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS DUMAS JACQUES 2010-03-25 — — US claimed
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYCLACEL LIMITED (GB) 2010-02-11 — — US claimed
US-7557129-B2 Cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC (US) 2009-07-07 — — US claimed
EP-1940846-A2 PYRIMIDIN-4-YL-3,4-DIHYDRO-2H-PYRROLO[1,2A]PYRAZIN-1-ONE COMPOUNDS Cyclacel Limited (GB) 2008-07-09 — — EP claimed
WO-2007042784-A2 PYRIMIDIN-4-YL-3, 4-DIHYDR0-2H- PYRROLO [1, 2A] PYRAZIN-1-ONE COMPOUNDS CYCLACEL LIMITED (GB) 2007-04-19 — — WO claimed
JP-2006519264-A — — 2006-08-24 — — JP claimed
EP-1603879-A2 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-14 — — EP claimed
EP-1599467-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-11-30 — — EP claimed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 — — US claimed
US-20040235829-A1 Novel cyanopyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-25 — — US claimed
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-18 — — US claimed
WO-2004078128-A2 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 — — WO claimed
WO-2004078747-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 — — WO claimed
US-4373101-A BACTERICIDES; ANIMAL GROWTH REGULATORS; LOW TOXICITY; ANIMAL HUSBANDRY EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-02-08 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 ABCG2 2762/4885
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS CDK4, MKI67, TP53 ABCG2 2059/4885
US-20040235829-A1 Novel cyanopyridine derivatives useful in the treatment of cancer and other disorders VHL, HCCS, CDK4 ABCG2 3707/4885
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYP2A13, NR1I3, NR3C2 ABCG2 1357/4885
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders CDK4, MKI67, TP53 ABCG2 2059/4885

“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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