SCHEMBL1940624

SCHEMBL1940624

CCc1[nH]c2ncccc2c1CC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.45
▸ MAP2K1 Q02750 1/20 0.42
▸ KLK6 Q92876 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 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
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL1939157 0.83 KLK6 (0.54) EGFRMAP2K1KLK6SMN1; SMN2KMT2A
SCHEMBL14533462 0.82 AURKA (0.44) SMN1; SMN2KMT2AMEN1PKMPOLB
SCHEMBL27709895 0.80 MEN1 (0.38) MAP2K1KLK6KMT2AMEN1PKM
SCHEMBL28518839 0.79 EGFR (0.66) EGFRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL12024540 0.77 KDM4E (0.44) KLK6SMN1; SMN2KMT2AMEN1PKM
SCHEMBL1939685 0.76 MAP2K1 (0.42) MAP2K1KMT2AMEN1PKMPOLB
SCHEMBL9285269 0.74 AURKA (0.41) MAP2K1KMT2AMEN1AURKAPARP1
SCHEMBL12024541 0.73 LMNA (0.47) KLK6SMN1; SMN2KMT2AMEN1PKM
SCHEMBL27690047 0.72 AURKA (0.40) MAP2K1KMT2AMEN1AURKAPARP1
SCHEMBL27499257 0.72 EGFR (0.48) EGFRMAP2K1SMN1; SMN2KMT2APKM

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 EGFR 4299/4885MAP2K1 1960/4885KLK6 3948/4885
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS HRH2, QDPR, AVPR2 EGFR 4299/4885MAP2K1 1960/4885KLK6 3948/4885
US-20100210610-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 EGFR 1596/4885MAP2K1 4794/4885KLK6 2812/4885
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 EGFR 2117/4885MAP2K1 1708/4885KLK6 3248/4885
US-20100204225-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 EGFR 1596/4885MAP2K1 4794/4885KLK6 2812/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 EGFR 2567/4885MAP2K1 4448/4885KLK6 4305/4885

“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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