SCHEMBL9959950

SCHEMBL9959950

NC1CCCC(N)(Cc2ccccc2F)C1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ DPP4 P27487 1/20 0.35
▸ MAOA P21397 8/20 0.33
▸ MAOB P27338 8/20 0.33
▸ KDM1A O60341 8/20 0.33
▸ RCOR1 Q9UKL0 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.31
▸ CES2 O00748 1/20 0.31

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
SCHEMBL27002643 0.67 MAOA (0.45) MAOAMAOBKDM1ARCOR1
SCHEMBL28536932 0.66 TAAR1 (0.40) ATMMAOAMAOBKDM1ARCOR1
SCHEMBL10239279 0.66 KMT2A (0.36) ATMDPP4MAOAMAOBKDM1A
SCHEMBL9957112 0.65 TAAR1 (0.36) DPP4MAOAMAOBKDM1AKMT2A
SCHEMBL13281096 0.65 USP2 (0.35) LMNAKMT2A
SCHEMBL2474184 0.65 MAOA (0.52) MAOAMAOBKDM1ARCOR1LMNA
SCHEMBL9957480 0.64 GRIN2B (0.40) KMT2A
SCHEMBL516000 0.62 MAOA (0.46) MAOAMAOBKDM1ARCOR1
SCHEMBL15294479 0.62 LMNA (0.37) ATMLMNAKMT2ASIGMAR1
SCHEMBL28206843 0.62 MAOA (0.49) MAOAMAOBKDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654748-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-07-27 — — EP disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 — — US disclosed
EP-2654748-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-10-30 — — EP disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 — — US disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 — — 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-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 ATM 400/4885DPP4 3707/4885MAOA 4413/4885

“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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