SCHEMBL12058432

SCHEMBL12058432

COc1cc2cc(-c3c(Cl)nc(NCC(F)(F)F)nc3N[C@H]3CC[C@@H](CO)C3)oc2cn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.33
▸ GPR6 P46095 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ GAS6 Q14393 1/20 0.31
▸ EHMT2 Q96KQ7 1/20 0.30
▸ EHMT1 Q9H9B1 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
SCHEMBL12058032 0.89 — —
SCHEMBL12058431 0.87 CRHR1 (0.34) CRHR1
SCHEMBL12058347 0.85 IRAK4 (0.41) —
SCHEMBL12057756 0.82 — —
SCHEMBL10094164 0.82 PDE5A (0.37) CRHR1GPR6FLT3TYRO3MERTK
SCHEMBL12057684 0.82 MCHR1 (0.34) FLT3TYRO3MERTKGAS6
SCHEMBL12057827 0.81 ULK1 (0.31) FLT3TYRO3MERTKGAS6
SCHEMBL12058439 0.81 MCHR1 (0.30) —
SCHEMBL12058482 0.80 EHMT2 (0.32) EHMT2EHMT1
SCHEMBL12058157 0.80 PTPN11 (0.32) —

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-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 — — 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-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO CRHR1 1723/4885GPR6 1158/4885FLT3 276/4885

“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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