SCHEMBL14960628

SCHEMBL14960628

Cn1ccnc1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPO P22079 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CHKA P35790 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
SMPD3 Q9NY59 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CHRM4 P08173 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL9540875 0.98 ALDH1A1 (0.42) LPOKDM4EALDH1A1TSHRGLA
Hydrochloric Acid SCHEMBL29629263 0.96 ALDH1A1 (0.41) LPOKDM4EALDH1A1TSHRGLA
SCHEMBL12320540 0.85 HTR3E (0.41) LPOGLAGAAHRH4KMT2A
SCHEMBL4037090 0.82 ALDH1A1 (0.50) LPOKDM4EALDH1A1TSHRGAA
SCHEMBL2351496 0.82 KDM4E (0.46) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL26633214 0.80 KDM4E (0.48) KDM4EALDH1A1
SCHEMBL24126638 0.79 HRH3 (0.42) LPOTSHRHRH4KMT2A
SCHEMBL784905 0.76 HRH4 (0.40) HRH4
SCHEMBL24127164 0.76 ACHE (0.41) LPOKDM4E
SCHEMBL31138545 0.75 ALDH1A1 (0.41) LPOKDM4EALDH1A1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 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 (3 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E LPO 2108/4885KDM4E 1910/4885ALDH1A1 4226/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E LPO 2092/4885KDM4E 1953/4885ALDH1A1 4256/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E LPO 2092/4885KDM4E 1953/4885ALDH1A1 4256/4885

“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.