SCHEMBL24171148

SCHEMBL24171148

COc1cc(-c2cnc(C)c(-c3ccc(N)cc3)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 7/20 0.44
▸ ACVR2A P27037 2/20 0.42
▸ TGFBR2 P37173 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ DYRK1A Q13627 2/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ CHEK2 O96017 3/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ LOX P28300 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL24171871 0.81 FYN (0.59) FYNDYRK1ACHEK2TGFBR1CHEK1
SCHEMBL24171393 0.79 FYN (0.47) FYNCHEK2TGFBR1
SCHEMBL11262307 0.74 CYP2A6 (0.44) —
SCHEMBL16116782 0.73 LOX (0.55) ACVR2ATGFBR2LRRK2DYRK1ATGFBR1
SCHEMBL30626327 0.73 LOX (0.55) ACVR2ATGFBR2LRRK2DYRK1ATGFBR1
SCHEMBL30042310 0.73 DYRK1A (0.49) ACVR2ATGFBR2LRRK2DYRK1APIK3CA
SCHEMBL94462 0.73 DYRK1A (0.49) ACVR2ATGFBR2LRRK2DYRK1APIK3CA
SCHEMBL30042175 0.73 CYP2A6 (0.57) FYNACVR2ATGFBR2DYRK1APIK3CA
SCHEMBL155546 0.73 DYRK1A (0.46) ACVR2ATGFBR2LRRK2DYRK1ATGFBR1
SCHEMBL18481804 0.72 LOX (0.47) ACVR2ATGFBR2LRRK2DYRK1ATGFBR1

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-20220002277-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-01-06 — — 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-20220002277-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP AXL, TYRO3, LCK FYN 6/4885ACVR2A 491/4885TGFBR2 545/4885

“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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