SCHEMBL3480985

SCHEMBL3480985

COCC(F)(F)Oc1nc2ncncc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
NPY5R Q15761 1/20 0.36
ENPP1 P22413 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
KCNH2 Q12809 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL1398868 0.76 METAP2 (0.44) METAP2METAP1NPY5RENPP1
SCHEMBL1892109 0.76 METAP2 (0.39) METAP2METAP1NPY5RENPP1
SCHEMBL2894575 0.75 METAP2 (0.43) METAP2METAP1NPY5RENPP1PTGDR2
SCHEMBL235437 0.67 CACNA1H (0.41) METAP2METAP1NPY5RENPP1
SCHEMBL7626867 0.67 METAP2 (0.39) METAP2METAP1NPY5RENPP1PTGDR2
SCHEMBL1235369 0.67 METAP2 (0.37) METAP2METAP1NPY5RENPP1
SCHEMBL1193887 0.66 METAP2 (0.44) METAP2METAP1NPY5RENPP1PTGDR2
SCHEMBL3014791 0.66 HSD17B10 (0.57) METAP2METAP1NPY5R
SCHEMBL3179127 0.66 METAP2 (0.41) METAP2METAP1NPY5RENPP1
SCHEMBL5440113 0.65 KDM4C (0.47) METAP2METAP1NPY5R

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-20100015218-A1 COMPOSITIONS AND METHODS FOR POTENTIATED ACTIVITY OF BIOLOGICALLY ACTIVE MOLECULES MERCK SHARP & DOHME CORP. 2010-01-21 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-20100015218-A1 COMPOSITIONS AND METHODS FOR POTENTIATED ACTIVITY OF BIOLOGICALLY ACTIVE MOLECULES PHAX, MTREX, CHIA METAP2 741/4885METAP1 642/4885NPY5R 2474/4885

“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.