SCHEMBL1939685

SCHEMBL1939685

CCc1[nH]c2ncccc2c1C(=O)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL27690047 0.86 AURKA (0.40) MAP2K1MEN1KMT2AAURKAPARP1
SCHEMBL9285269 0.83 AURKA (0.41) MAP2K1MEN1KMT2AAURKAPARP1
SCHEMBL1940624 0.76 EGFR (0.45) MAP2K1MEN1KMT2APKMPOLB
SCHEMBL14533462 0.73 AURKA (0.44) MEN1KMT2APKMPOLBAURKA
SCHEMBL29856130 0.73 SMN1; SMN2 (0.50) MEN1KMT2AGAAMAPTHTT
SCHEMBL27709895 0.72 MEN1 (0.38) MAP2K1MEN1KMT2APKMPOLB
SCHEMBL15175716 0.70 NR4A2 (0.60) MAP2K1MEN1KMT2APOLBAURKA
SCHEMBL29955300 0.70 KMT2A (0.44) MEN1KMT2APKMPOLBAURKA
SCHEMBL676206 0.69 MEN1 (0.46) MAP2K1MEN1KMT2APKMAURKA
SCHEMBL1940550 0.69 MAP2K1 (0.73) MAP2K1KMT2ACYP2C9CYP2C19MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169251-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2015-10-27 — — US disclosed
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG 2014-10-16 — — US disclosed
US-8791256-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2014-07-29 — — US disclosed
US-20130267518-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2013-10-10 — — US disclosed
US-8470848-B2 Organic compounds NOVARTIS AG (CH) 2013-06-25 — — US disclosed
US-8455645-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2013-06-04 — — US disclosed
EP-1761529-B3 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2011-06-15 — — EP disclosed
US-20100210610-A1 Organic compounds BALA KAMLESH JAGDIS 2010-08-19 — — US disclosed
US-20100204225-A1 Organic compounds BALA KAMLESH JAGDIS 2010-08-12 — — US disclosed
US-7666878-B2 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2010-02-23 — — US disclosed
US-20080312230-A1 Organic Compounds NOVARTIS AG 2008-12-18 — — US disclosed
EP-1963317-A1 USE OF PYRROLO [2 , 3-B]PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN Novartis AG (CH) 2008-09-03 — — EP disclosed
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2008-05-15 — — US disclosed
EP-1761529-B1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2007-11-14 — — EP disclosed
WO-2007068418-A1 USE OF PYRROLO [2 , 3-B] PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN NOVARTIS AG (CH) 2007-06-21 — — WO disclosed
EP-1761529-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Novartis AG (CH) 2007-03-14 — — EP disclosed
WO-2005123731-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2005-12-29 — — 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 (6 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-20130267518-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS HRH2, QDPR, AVPR2 MAP2K1 1960/4885MEN1 2934/4885KMT2A 2321/4885
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS HRH2, QDPR, AVPR2 MAP2K1 1960/4885MEN1 2934/4885KMT2A 2321/4885
US-20100210610-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 MAP2K1 4794/4885MEN1 438/4885KMT2A 1846/4885
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease CCR1, CCL2, CCL11 MAP2K1 1708/4885MEN1 4809/4885KMT2A 3273/4885
US-20100204225-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 MAP2K1 4794/4885MEN1 438/4885KMT2A 1846/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 MAP2K1 4448/4885MEN1 2151/4885KMT2A 2287/4885

“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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