SCHEMBL173302

SCHEMBL173302

O=[N+]([O-])c1ccc2c(c1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CNR2 P34972 6/20 0.44
▸ ACHE P22303 2/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ MAPT P10636 5/20 0.44
▸ ELANE P08246 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ CTRB1 P17538 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MPI P34949 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ F2R P25116 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL12193534 0.86 L3MBTL1 (0.48) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL2865562 0.85 L3MBTL1 (0.47) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL20916820 0.83 CTSB (0.35) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL30554375 0.83 CTSB (0.35) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL18113523 0.81 L3MBTL1 (0.44) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL4230640 0.81 L3MBTL1 (0.44) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL30447496 0.81 L3MBTL1 (0.45) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL173456 0.80 L3MBTL1 (0.57) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL4139741 0.79 VCAM1 (0.34) L3MBTL1MAPTMEN1KMT2ALMNA
SCHEMBL1198605 0.79 MEN1 (0.36) L3MBTL1MAPTMEN1KMT2ALMNA

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849053-B Spiro compounds 里科瑞尔姆IP控股有限责任公司 2020-10-30 — — CN disclosed
US-20200268714-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2020-08-27 — — US disclosed
EP-3277690-B1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2020-02-26 — — EP disclosed
EP-3536319-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-09-11 — — EP disclosed
US-20190201380-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2019-07-04 — — US disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 — — US disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 — — US disclosed
EP-3277690-A1 SPIROCYCLIC COMPOUNDS Kalyra Pharmaceuticals, Inc. (US) 2018-02-07 — — EP disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 — — EP disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 — — EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
CN-101370784-A Polycyclic indazole derivatives that are erk inhibitors SCHERING CORP (US) 2009-02-18 — — CN disclosed
WO-2008153858-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-12-18 — — WO disclosed
WO-2008153858-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-12-18 — — WO disclosed
EP-1966151-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2008-09-10 — — EP disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 — — US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 — — US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 — — US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 — — WO disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 — — 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 (5 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-20200268714-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 L3MBTL1 4544/4885CNR2 2782/4885ACHE 4771/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 L3MBTL1 3535/4885CNR2 3806/4885ACHE 3550/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 L3MBTL1 3654/4885CNR2 3856/4885ACHE 3857/4885
US-20190201380-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 L3MBTL1 4544/4885CNR2 2782/4885ACHE 4771/4885
US-20180207132-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 L3MBTL1 4544/4885CNR2 2782/4885ACHE 4771/4885

“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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