SCHEMBL10195010

SCHEMBL10195010

CCN1CCCC1CNC(=O)c1ccc(C)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.68
ACKR3 P25106 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.62
MCHR2 Q969V1 1/20 0.62
MCHR1 Q99705 1/20 0.62
DRD2 P14416 6/20 0.60
MITF O75030 1/20 0.60
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.58

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
SCHEMBL10195728 1.00 HSD17B10 (0.68) HSD17B10ACKR3ABCG2MCHR2MCHR1
SCHEMBL10195730 1.00 HSD17B10 (0.68) HSD17B10ACKR3ABCG2MCHR2MCHR1
SCHEMBL18779410 0.93 HSD17B10 (0.61) HSD17B10ACKR3ABCG2MCHR2MCHR1
SCHEMBL4283979 0.88 HSD17B10 (0.70) HSD17B10ABCG2MCHR2MCHR1DRD2
SCHEMBL11919266 0.88 DRD2 (0.67) HSD17B10ABCG2MCHR2MCHR1DRD2
SCHEMBL9367355 0.88 HSD17B10 (0.67) HSD17B10ABCG2MCHR2MCHR1DRD2
SCHEMBL4341169 0.88 MCHR1 (0.69) HSD17B10ABCG2MCHR2MCHR1DRD2
SCHEMBL15317635 0.87 HSD17B10 (0.65) HSD17B10ABCG2MCHR2MCHR1DRD2
SCHEMBL11916163 0.87 HSD17B10 (0.65) HSD17B10ABCG2MCHR2MCHR1DRD2
SCHEMBL15317637 0.87 HSD17B10 (0.65) HSD17B10ABCG2MCHR2MCHR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 US disclosed
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 US disclosed
US-20100041662-A1 Heterocyclic compounds as antiinflammatory agents FERRAND SANDRINE 2010-02-18 US disclosed
US-20100041662-A1 Heterocyclic compounds as antiinflammatory agents FERRAND SANDRINE 2010-02-18 US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 US 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 (10 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-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH HSD17B10 717/4885ACKR3 1037/4885ABCG2 582/4885
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 HSD17B10 3173/4885ACKR3 2905/4885ABCG2 1069/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 HSD17B10 3309/4885ACKR3 2918/4885ABCG2 1335/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 HSD17B10 3425/4885ACKR3 2544/4885ABCG2 1284/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 HSD17B10 3283/4885ACKR3 1990/4885ABCG2 710/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 HSD17B10 3069/4885ACKR3 2003/4885ABCG2 2027/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 HSD17B10 3173/4885ACKR3 2905/4885ABCG2 1069/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B HSD17B10 834/4885ACKR3 546/4885ABCG2 379/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 HSD17B10 3173/4885ACKR3 2905/4885ABCG2 1069/4885
US-20100041662-A1 Heterocyclic compounds as antiinflammatory agents JAK2, IRAK4, ALK HSD17B10 2698/4885ACKR3 120/4885ABCG2 2135/4885

“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.