SCHEMBL2878709

SCHEMBL2878709

CC(=O)Oc1cccc2c1CCCN2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MAPK1 P28482 1/20 0.40
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
BLM P54132 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NUDT1 P36639 2/20 0.39

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
SCHEMBL6687227 0.91 MAPK1 (0.41) MAPK1PARP1KDM4EALDH1A1HSD17B10
SCHEMBL7730049 0.79 MAPT (0.44) MAPK1KDM4EALDH1A1HSD17B10ESR1
SCHEMBL8052504 0.79 MAPK1 (0.38) MAPK1KDM4EALDH1A1HSD17B10ESR1
SCHEMBL10381392 0.79 PARP1 (0.50) PARP1
SCHEMBL30479656 0.79 PARP1 (0.50) PARP1
SCHEMBL6687224 0.79 CRBN (0.34) PRMT5WDR77PARP1SRC
SCHEMBL10569911 0.76 ADRB2 (0.50) MAPK1KDM4EALDH1A1HSD17B10ESR1
SCHEMBL28092163 0.76 SRC (0.61) MAPK1PARP1KDM4EALDH1A1HSD17B10
SCHEMBL11167058 0.76 PARP1 (0.39) PRMT5WDR77PARP1NUDT1SRC
SCHEMBL16973904 0.75 PRMT5 (0.49) PRMT5WDR77KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121638-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
CN-102171214-B Dihydropyridophthalazinone inhibitors of poly (ADP-ribose) polymerase (PARP) BIOMARIN PHARM INC 2015-06-24 CN disclosed
CN-104478875-A Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2015-04-01 CN disclosed
CN-103896942-A Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2014-07-02 CN disclosed
CN-102171214-A Dihydropyridophthalazinone inhibitors of poly (ADP-ribose) polymerase (PARP) BIOMARIN PHARM INC 2011-08-31 CN disclosed
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ANTHONY NEVILLE J 2010-11-11 US disclosed
US-7781454-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
EP-2121638-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME LLC 2008-11-06 US disclosed
WO-2008076225-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
EP-1405848-B1 TETRAHYDROQUINOLINE DERIVATIVE COMPOUND AND DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-05-07 EP disclosed
EP-1405848-B1 TETRAHYDROQUINOLINE DERIVATIVE COMPOUND AND DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-05-07 EP disclosed
US-6924295-B2 Tetrahydroquinoline derivative compound and drug containing the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
US-20040171835-A1 Tetrahydroquinoline derivative compound and drug containing the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-09-02 US disclosed
EP-1405848-A1 TETRAHYDROQUINOLINE DERIVATIVE COMPOUND AND DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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 (3 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-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors RNGTT, RRM2B, RRM2 PRMT5 473/4885WDR77 291/4885MAPK1 2492/4885
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 PRMT5 473/4885WDR77 291/4885MAPK1 2492/4885
US-20040171835-A1 Tetrahydroquinoline derivative compound and drug containing the compound as active ingredient SREBF1, NR1H2, NR1H3 PRMT5 531/4885WDR77 1552/4885MAPK1 302/4885

“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.