SCHEMBL14765019

SCHEMBL14765019

Oc1ccc(Cl)nc1-c1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ITK Q08881 8/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ CASP3 P42574 1/20 0.49

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
SCHEMBL21945267 0.81 ITK (0.49) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL15941786 0.81 DAO (0.48) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL14765048 0.79 DAO (0.48) MEN1MAPTKMT2AUSP2LMNA
SCHEMBL14765157 0.78 RIPK1 (0.63) KDRDAO
SCHEMBL14765132 0.78 RAB9A (0.56) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL2002569 0.76 ITK (0.60) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL15951368 0.75 ITK (0.43) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL8964895 0.74 KDM4E (0.60) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL11477517 0.73 MAPT (0.68) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL15951369 0.73 ITK (0.39) KDM4EMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953456-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-05-22 — — EP disclosed
EP-2753325-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-09-19 — — EP disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 — — US disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 — — US disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 — — US disclosed
US-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-31 — — US disclosed
WO-2013033971-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 — — WO disclosed
WO-2013033971-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 — — WO disclosed
WO-2013033900-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 — — WO disclosed
WO-2013033900-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 — — 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 (1 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-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HCCS, HAVCR2, EIF2AK2 KDM4E 3597/4885MEN1 4411/4885ALDH1A1 919/4885

“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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