SCHEMBL10094205

SCHEMBL10094205

COc1ccc(-c2c(Cl)nc(NCC(F)(F)F)nc2N[C@H]2CC[C@@H](CO)C2)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.37
▸ PTPN11 Q06124 1/20 0.33
▸ FLT3 P36888 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ GAS6 Q14393 1/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.30
▸ EHMT1 Q9H9B1 1/20 0.30
▸ PIK3CA P42336 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
SCHEMBL10094160 0.92 PTPN11 (0.32) CRHR1PTPN11
SCHEMBL10094109 0.92 PTPN11 (0.32) CRHR1PTPN11
SCHEMBL10094179 0.90 PTPN11 (0.35) CRHR1PTPN11FLT3TYRO3MERTK
SCHEMBL10094164 0.85 PDE5A (0.37) CRHR1FLT3TYRO3MERTKGAS6
SCHEMBL10094090 0.84 CRHR1 (0.34) CRHR1PTPN11FLT3TYRO3MERTK
SCHEMBL12058431 0.84 CRHR1 (0.34) CRHR1
SCHEMBL10094081 0.83 IRAK4 (0.42) —
SCHEMBL12058432 0.78 CRHR1 (0.33) CRHR1FLT3TYRO3MERTKGAS6
SCHEMBL12057756 0.78 — —
SCHEMBL12058157 0.77 PTPN11 (0.32) PTPN11

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-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2012-05-03 — — 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-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS CYP2C9, P2RX3, F12 CRHR1 527/4885PTPN11 819/4885FLT3 686/4885

“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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