SCHEMBL1199475

SCHEMBL1199475

O=C(CCl)N1CCN(c2ccc(-c3ncccn3)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
GRM5 P41594 4/20 0.46
LMNA P02545 4/20 0.45
MEN1 O00255 4/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
MAPK3 P27361 1/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
HSD17B10 Q99714 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL18121692 0.83 ALDH1A1 (0.44) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL1201072 0.82 HTT (0.43) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL2467963 0.80 DGAT1 (0.54) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1199692 0.80 CKS1B (0.42) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL946774 0.78 GRM5 (0.61) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL1199745 0.76 MMP2 (0.46) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL3155813 0.75 MAPK1 (0.55) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL1199430 0.74 BMPR1A (0.49) ALDH1A1
SCHEMBL1198869 0.72 MAPK1 (0.51) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL5887976 0.72 KDM4E (0.60) KMT2AMAPTALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-2155722-B1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-2155722-B1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
EP-2170893-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2010-04-07 EP disclosed
EP-2155722-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2010-02-24 EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
WO-2008156739-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-12-24 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 KMT2A 1600/4885MAPT 3683/4885ALDH1A1 153/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 KMT2A 1891/4885MAPT 3731/4885ALDH1A1 277/4885

“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.