SCHEMBL10239279

SCHEMBL10239279

N[C@@H]1CCC[C@](Cc2ccccc2F)(NCc2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TACR1 P25103 4/20 0.34
▸ SLC6A4 P31645 4/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KDM1A O60341 3/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL15294479 0.87 LMNA (0.37) KMT2ALMNASIGMAR1ATMKDM4E
SCHEMBL10237687 0.82 KMT2A (0.43) KMT2ALMNAKDM1AMAOAMAOB
SCHEMBL9957136 0.75 KMT2A (0.45) KMT2ASIGMAR1KDM1AMAOBSMN1; SMN2
SCHEMBL10239218 0.75 KMT2A (0.45) KMT2ASIGMAR1KDM1AMAOBSMN1; SMN2
SCHEMBL9957112 0.74 TAAR1 (0.36) KMT2AKDM1AMAOAMAOBALDH1A1
SCHEMBL9957480 0.73 GRIN2B (0.40) KMT2AMEN1
SCHEMBL9955730 0.70 TRPM8 (0.35) KMT2AKDM1AMAOAMAOBKDM4E
SCHEMBL10739318 0.66 PKM (0.47) ALDH1A1PKM
SCHEMBL1187758 0.66 IDO1 (0.39) KMT2AMAOAMAOBKDM4ESMN1; SMN2
SCHEMBL9959950 0.66 ATM (0.40) KMT2ALMNASIGMAR1ATMKDM1A

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 6 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
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 — — US disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 — — US 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 KMT2A 2599/4885LMNA 4392/4885TACR1 2449/4885

“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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