SCHEMBL3617138

SCHEMBL3617138

O=C(NCc1ccccc1)c1ccc2c(c1)c1c(=O)[nH]ccc1c1[nH]c(C3CCCC3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.42
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ITK Q08881 1/20 0.39
POLB P06746 1/20 0.39
CHEK1 O14757 1/20 0.39
JAK2 O60674 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
FES P07332 1/20 0.39
RET P07949 1/20 0.39
ROS1 P08922 1/20 0.39
FER P16591 1/20 0.39
FLT1 P17948 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
SCHEMBL3613483 0.91 PARP1 (0.42) ALDH1A1CHEK1ROCK1ROCK2LMNA
SCHEMBL3622686 0.89 RAB9A (0.47) ALDH1A1POLBJAK2LMNAHTT
SCHEMBL14373980 0.86 CHEK1 (0.40) ADORA1ALDH1A1CHEK1JAK2RET
SCHEMBL3622445 0.84 ALDH1A1 (0.41) ADORA2AADORA1ALDH1A1CHEK1JAK2
SCHEMBL3619318 0.84 CHEK1 (0.51) ADORA2AADORA1ALDH1A1CHEK1JAK2
SCHEMBL4458883 0.83 RAB9A (0.42) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3625972 0.82 JAK2 (0.38) ADORA3ADORA2AADORA1CHEK1JAK2
SCHEMBL3618943 0.78 HPGD (0.43) ALDH1A1CHEK1JAK2RETFLT1
SCHEMBL3620214 0.78 HTR2B (0.40) ALDH1A1CHEK1JAK2RETFLT1
SCHEMBL3618920 0.76 JAK2 (0.42) JAK2

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-2032141-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-31 EP claimed
US-20090306071-A1 Inhibitors of Janus Kinases MERCK SHARP & DOHME LLC 2009-12-10 US claimed
EP-2032141-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-31 EP disclosed
US-7763634-B2 Inhibitors of janus kinases MERCK & CO., INC. (US) 2010-07-27 US disclosed
US-20090306071-A1 Inhibitors of Janus Kinases MERCK SHARP & DOHME LLC 2009-12-10 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-20090306071-A1 Inhibitors of Janus Kinases JAK2, JAK3, JAK1 IMPDH2 2494/4885ADORA3 3115/4885ADORA2A 4253/4885

“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.