SCHEMBL14409590

SCHEMBL14409590

CN(C)CCn1c(N)nc2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.43
POLB P06746 3/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR6 P50406 2/20 0.41
CXCR4 P61073 1/20 0.41
TLR8 Q9NR97 6/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL14409593 0.81 CXCR4 (0.45) POLBHTR6CXCR4TLR8CYP1A2
SCHEMBL14409589 0.80 POLB (0.43) POLBCXCR4TLR8CYP1A2ALDH1A1
SCHEMBL25171851 0.79 CYP1A2 (0.59) POLBKDM4ECXCR4TLR8CYP1A2
SCHEMBL16512785 0.79 TLR8 (0.64) POLBCXCR4TLR8
SCHEMBL6930946 0.78 POLB (0.69) TOP2APOLBCXCR4TLR8CYP1A2
Hydrochloric Acid SCHEMBL31258765 0.78 CYP1A2 (0.57) POLBKDM4ECXCR4TLR8CYP1A2
Hydrochloric Acid SCHEMBL25167011 0.78 CYP1A2 (0.57) POLBKDM4ECXCR4TLR8CYP1A2
Hydrochloric Acid SCHEMBL6934113 0.77 POLB (0.67) TOP2APOLBCXCR4TLR8CYP1A2
SCHEMBL19233647 0.75 HTR3E (0.42) KDM4E
SCHEMBL14409579 0.72 CXCR4 (0.38) POLBCXCR4TLR8CYP1A2CYP2D6

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-20070219191-A1 3-Pyridinium Methyl Cephem Compound SHIONOGI & CO., LTD. (JP) 2007-09-20 US disclosed
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 TOP2A 4056/4885POLB 3049/4885KDM4E 258/4885

“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.