SCHEMBL14416945

SCHEMBL14416945

c1cc(N[C@@H]2CCNC2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 13/20 0.49
AXL P30530 3/20 0.45
PLK4 O00444 1/20 0.44
PRKCZ Q05513 1/20 0.43
ITK Q08881 1/20 0.42

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
SCHEMBL639634 1.00 PRKCI (0.49) PRKCIAXLPLK4PRKCZITK
SCHEMBL639635 1.00 PRKCI (0.49) PRKCIAXLPLK4PRKCZITK
SCHEMBL661039 0.89 PRKCZ (0.55) PRKCIPRKCZITK
SCHEMBL3960929 0.89 HRH3 (0.47) PLK4PRKCZITK
Hydrochloric Acid SCHEMBL30958672 0.87 HRH3 (0.46) PLK4PRKCZITK
Trifluoroacetic Acid SCHEMBL26600062 0.85 HRH4 (0.53) PRKCI
SCHEMBL17961734 0.81 KDM1A (0.51) AXL
SCHEMBL2343007 0.81 KDM1A (0.51) AXL
SCHEMBL4932040 0.80 PRKCI (0.46) PRKCIAXLPRKCZ
SCHEMBL23012617 0.80 CHRNB2 (0.48) PRKCIAXLPRKCZ

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-20070219191-A1 3-Pyridinium Methyl Cephem Compound SHIONOGI & CO., LTD. (JP) 2007-09-20 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-20070219191-A1 3-Pyridinium Methyl Cephem Compound ABL1, CRKL, MGMT PRKCI 4431/4885AXL 1467/4885PLK4 278/4885

“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.