SCHEMBL17136283

SCHEMBL17136283

c1ccc(OCC2CCNC2)nc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.55
SLC6A4 P31645 4/20 0.55
SLC6A3 Q01959 1/20 0.55
CHRM3 P20309 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
KDM1A O60341 4/20 0.47
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
CDC42BPB Q9Y5S2 2/20 0.42
CDC42BPA Q5VT25 1/20 0.42
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
EP300 Q09472 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
SCHEMBL10499108 0.90 KDM1A (0.56) SLC6A2SLC6A4KDM1AHTR3AKCNH2
SCHEMBL4958459 0.87 MKNK1 (0.39) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8435746 0.85 MKNK1 (0.39) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL31192198 0.81 GPR39 (0.43) KDM1A
SCHEMBL365267 0.81 GPR39 (0.43) KDM1A
SCHEMBL17784680 0.78 FFAR1 (0.44) KDM1A
SCHEMBL17108209 0.78 CHRNB2 (0.58) SLC6A2SLC6A4SLC6A3CHRM3CHRM2
SCHEMBL8436152 0.78 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CHRM3CHRM2
SCHEMBL1975103 0.77 SLC6A1 (0.43) SLC6A2SLC6A4SLC6A3CHRM3CHRM2
SCHEMBL15130036 0.77 CTSL (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452995-B2 Pyridine derivatives as PIM kinase inhibitors and preparation methods and use in medicinal manufacture thereof Jikai Biosciences, Inc. (CN) 2016-09-27 US disclosed
US-20150284363-A1 PYRIDINE DERIVATIVES AS PIM KINASE INHIBITORS AND PREPARATION METHODS AND USE IN MEDICINAL MANUFACTURE THEREOF Jikai Biosciences, Inc. 2015-10-08 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-20150284363-A1 PYRIDINE DERIVATIVES AS PIM KINASE INHIBITORS AND PREPARATION METHODS AND USE IN MEDICINAL MANUFACTURE THEREOF PIM1, PIM2, PIM3 SLC6A2 4352/4885SLC6A4 4361/4885SLC6A3 4047/4885

“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.