SCHEMBL6385408

SCHEMBL6385408

O=C1c2cccnc2CCc2c(F)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.47
▸ TYMS P04818 1/20 0.47
▸ CYP19A1 P11511 2/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ SRD5A1 P18405 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TDP2 O95551 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ PLCG1 P19174 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTPRC P08575 2/20 0.35

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
SCHEMBL16559357 0.83 SRD5A1 (0.54) MAPK14TYMSCYP19A1CYP11B1CYP11B2
SCHEMBL6387841 0.78 CYP19A1 (0.40) MAPK14TYMSCYP19A1CYP11B1CYP11B2
SCHEMBL6387839 0.78 CYP19A1 (0.40) MAPK14TYMSCYP19A1CYP11B1CYP11B2
SCHEMBL6385750 0.73 CES1 (0.59) MAPK14CYP19A1CYP11B2GAACES1
SCHEMBL4165982 0.73 CES1 (0.59) MAPK14TYMSSRD5A1CES1TDP1
SCHEMBL1869865 0.73 MAPK14 (0.43) MAPK14TYMSCYP19A1CYP11B1CYP11B2
SCHEMBL14092475 0.73 CYP19A1 (0.44) MAPK14TYMSCYP19A1CYP11B1CYP11B2
SCHEMBL14092479 0.73 CYP19A1 (0.44) MAPK14TYMSCYP19A1CYP11B1CYP11B2
SCHEMBL6388288 0.73 CYP19A1 (0.47) MAPK14TYMSCYP19A1CYP11B1CYP11B2
SCHEMBL6387885 0.73 MAPK14 (0.60) MAPK14TYMSSRD5A1GAATDP1

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 4334/4885TYMS 684/4885CYP19A1 763/4885

“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.

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