SCHEMBL4555852

SCHEMBL4555852

c1ccc2c(c1)[nH]c1cc[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
GPR3 P46089 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
AHR P35869 2/20 0.50
LMNA P02545 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
METAP2 P50579 1/20 0.50
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45

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
SCHEMBL13738861 0.79 PARP1 (0.61) ALDH1A1GPR3HSD17B10KDM4EHPGD
SCHEMBL4515369 0.76 ALDH1A1 (0.67) ALDH1A1GPR3HSD17B10KDM4EHPGD
Carbazole SCHEMBL370524 0.76 ALDH1A1 (1.00) ALDH1A1GPR3HSD17B10KDM4EHPGD
Carbazole SCHEMBL30209164 0.76 ALDH1A1 (1.00) ALDH1A1GPR3HSD17B10KDM4EHPGD
Carbazole SCHEMBL26134117 0.76 ALDH1A1 (1.00) ALDH1A1GPR3HSD17B10KDM4EHPGD
Carbazole SCHEMBL29627417 0.76 ALDH1A1 (1.00) ALDH1A1GPR3HSD17B10KDM4EHPGD
Carbazole SCHEMBL30761795 0.76 ALDH1A1 (1.00) ALDH1A1GPR3HSD17B10KDM4EHPGD
Carbazole SCHEMBL29355407 0.76 ALDH1A1 (1.00) ALDH1A1GPR3HSD17B10KDM4EHPGD
Carbazole SCHEMBL7650 0.76 ALDH1A1 (1.00) ALDH1A1GPR3HSD17B10KDM4EHPGD
SCHEMBL4499836 0.74 CDK4 (0.58) ALDH1A1GPR3HSD17B10AHRGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626027-B2 Substituted 1H-pyrrolo[2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase Iε AVENTIS PHARMACEUTICALS INC (US) 2009-12-01 US disclosed
US-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie AVENTIS PHARMACEUTICALS INC. (US) 2008-08-21 US disclosed
US-7402672-B2 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMACEUTICALS INC. (US) 2008-07-22 US disclosed
EP-1747220-A1 SUBSTITUTED 1H-PYRROLO 3,2-B, 3,2-C, AND 2,3-C¨PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON Aventis Pharmaceuticals Inc. (US) 2007-01-31 EP disclosed
WO-2005061498-A1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMACEUTICALS INC. (US) 2005-07-07 WO disclosed
US-20050131012-A1 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMACEUTICALS INC. (US) 2005-06-16 US disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP 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 (2 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-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie CSNK1E, CSNK1G3, CSNK2A3 ALDH1A1 3613/4885GPR3 1100/4885HSD17B10 3528/4885
US-20050131012-A1 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon CSNK2A3, PACSIN2, CSNK1G3 ALDH1A1 4044/4885GPR3 442/4885HSD17B10 2865/4885

“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.