SCHEMBL6387801

SCHEMBL6387801

ON=C1c2cc(F)ccc2CCc2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.43
▸ PTAFR P25105 2/20 0.41
▸ TYMS P04818 2/20 0.37
▸ NPY5R Q15761 2/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ CYP11B2 P19099 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP11B1 P15538 3/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ SRD5A1 P18405 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL6387798 1.00 MAPK14 (0.43) MAPK14PTAFRTYMSNPY5RPARP1
SCHEMBL6385247 0.83 MEN1 (0.42) MAPK14PTAFRCYP11B2SMN1; SMN2CYP11B1
SCHEMBL6385244 0.83 MEN1 (0.42) MAPK14PTAFRCYP11B2SMN1; SMN2CYP11B1
SCHEMBL6387885 0.79 MAPK14 (0.60) MAPK14PTAFRTYMSNPY5RPARP1
SCHEMBL6387839 0.75 CYP19A1 (0.40) MAPK14TYMSCYP11B2CYP11B1CYP19A1
SCHEMBL6387841 0.75 CYP19A1 (0.40) MAPK14TYMSCYP11B2CYP11B1CYP19A1
SCHEMBL4037696 0.70 MAPK14 (0.51) MAPK14PTAFRCYP11B2CYP11B1CYP19A1
SCHEMBL4041628 0.70 MAPK14 (0.70) MAPK14PTAFRCYP11B2CYP11B1CYP19A1
SCHEMBL25295761 0.68 HTT (0.49) PTAFRTYMSPARP1PARP10SRD5A1
SCHEMBL18762883 0.68 HTT (0.49) PTAFRTYMSPARP1PARP10SRD5A1

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-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 — — 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 MAPK14 4334/4885PTAFR 2761/4885TYMS 684/4885

“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.

Send feedback