SCHEMBL2296288

SCHEMBL2296288

N[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 1/20 0.40
NTRK1 P04629 1/20 0.36
IGF1R P08069 6/20 0.36
CYP3A4 P08684 2/20 0.36
KCNH2 Q12809 4/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
DPP4 P27487 1/20 0.35
PIK3CB P42338 2/20 0.34
SYK P43405 1/20 0.34
CDK2 P24941 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL2296289 1.00 MARK3 (0.40) MARK3NTRK1IGF1RCYP3A4KCNH2
SCHEMBL2291630 0.84 MARK3 (0.47) MARK3NTRK1IGF1RCYP3A4CAMKK1
SCHEMBL12418674 0.84 MARK3 (0.47) MARK3NTRK1IGF1RCAMKK1CAMKK2
SCHEMBL2291253 0.82 MARK3 (0.41) MARK3IGF1RCYP3A4KCNH2CAMKK1
SCHEMBL2289543 0.79 KDM4E (0.53) KDM4ENPC1ALDH1A1HTTRAB9A
SCHEMBL2292190 0.79 IRAK4 (0.41) MARK3CAMKK1CAMKK2CDK2
SCHEMBL15108345 0.78 NPC1 (0.44) KDM4ENPC1ALDH1A1HTTRAB9A
SCHEMBL2293160 0.78 ALDH1A1 (0.46) KDM4ENPC1ALDH1A1HTTRAB9A
SCHEMBL2292887 0.78 EPHB3 (0.37) MARK3IGF1RCYP3A4KCNH2CAMKK1
SCHEMBL2288445 0.78 DGAT2 (0.39) MARK3IGF1RCYP3A4KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518911-B2 Pyrazolo[1,5-a]pyridines as MARK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-27 US claimed
EP-2320737-B1 PYRAZOLO-[1,5-A]-PYRIDINES AS MARK INHIBITORS MERCK SHARP & DOHME (US) 2013-07-17 EP claimed
US-20110195933-A1 PYRAZOLO[1,5-A]PYRIDINES AS MARK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-11 US claimed
US-8518911-B2 Pyrazolo[1,5-a]pyridines as MARK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518911-B2 Pyrazolo[1,5-a]pyridines as MARK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518911-B2 Pyrazolo[1,5-a]pyridines as MARK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
EP-2320737-B1 PYRAZOLO-[1,5-A]-PYRIDINES AS MARK INHIBITORS MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
EP-2320737-B1 PYRAZOLO-[1,5-A]-PYRIDINES AS MARK INHIBITORS MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
US-20110195933-A1 PYRAZOLO[1,5-A]PYRIDINES AS MARK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-11 US disclosed
US-20110195933-A1 PYRAZOLO[1,5-A]PYRIDINES AS MARK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-11 US disclosed
US-20110195933-A1 PYRAZOLO[1,5-A]PYRIDINES AS MARK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-11 US 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-20110195933-A1 PYRAZOLO[1,5-A]PYRIDINES AS MARK INHIBITORS MARK3, MARK4, MARK1 MARK3 1/4885NTRK1 637/4885IGF1R 2501/4885

“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.