SCHEMBL19397290

SCHEMBL19397290

Cc1ccncc1N1CCC2(CCNCC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
HRH3 Q9Y5N1 4/20 0.40
EGLN1 Q9GZT9 7/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL19402335 0.84 PIM1 (0.43) PIM1HRH3EGLN1JAK1TYK2
SCHEMBL17723600 0.82 HRH3 (0.50) PIM1HRH3EGLN1JAK1TYK2
Hydrochloric Acid SCHEMBL30328290 0.80 PIM1 (0.42) PIM1HRH3EGLN1CCNCCDK8
Hydrochloric Acid SCHEMBL30329435 0.78 PIM1 (0.42) PIM1HRH3EGLN1CCNCCDK8
SCHEMBL17723583 0.77 ADRB2 (0.46) PIM1HRH3EGLN1ALDH1A1CYP3A4
SCHEMBL20038370 0.76 PIM1 (0.54) PIM1EGLN1
SCHEMBL3781174 0.74 SCN9A (0.40) CYP3A4TSHR
SCHEMBL17723601 0.73 KCNJ1 (0.48) PIM1HRH3EGLN1ALDH1A1CYP3A4
SCHEMBL18291199 0.72 EGLN1 (0.46) PIM1HRH3EGLN1
SCHEMBL17723439 0.72 KCNJ1 (0.49) PIM1HRH3EGLN1CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 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-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 PIM1 1056/4885HRH3 1545/4885EGLN1 1891/4885

“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.