SCHEMBL14409593

SCHEMBL14409593

NCCn1c(N)nc2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.45
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
TLR8 Q9NR97 7/20 0.41
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TP53 P04637 1/20 0.38
CXCL8 P10145 1/20 0.38
NOD1 Q9Y239 1/20 0.38
HTR6 P50406 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
SCHEMBL14409589 0.82 POLB (0.43) CXCR4POLBTLR8KMT2AHTT
SCHEMBL14409590 0.81 TOP2A (0.43) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL16512785 0.81 TLR8 (0.64) CXCR4POLBTLR8
SCHEMBL25171851 0.81 CYP1A2 (0.59) CXCR4POLBTLR8KMT2AHTT
Hydrochloric Acid SCHEMBL25167011 0.79 CYP1A2 (0.57) CXCR4POLBTLR8KMT2AHTT
Hydrochloric Acid SCHEMBL31258765 0.79 CYP1A2 (0.57) CXCR4POLBTLR8KMT2AHTT
SCHEMBL14409579 0.77 CXCR4 (0.38) CXCR4POLBTLR8KMT2AHTT
SCHEMBL25171603 0.77 TNF (0.51) POLBKMT2AHTTCYP1A2CYP2D6
SCHEMBL19233647 0.77 HTR3E (0.42) KMT2A
Hydrochloric Acid SCHEMBL25174517 0.76 TNF (0.50) POLBKMT2AHTTCYP1A2CYP2D6

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 CXCR4 221/4885POLB 3049/4885JAK2 11/4885

“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.