SCHEMBL29437825

SCHEMBL29437825

O=c1[nH]c2ccc(-c3ccc(NCc4cccc5ccccc45)nn3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 6/20 0.46
▸ PIK3CA P42336 4/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ MC5R P33032 1/20 0.37

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
SCHEMBL22191709 1.00 PIK3CB (0.46) PIK3CBPIK3CACYP3A4CYP2C9DYRK1A
SCHEMBL22191387 0.84 MAPT (0.54) PIK3CBPIK3CACYP3A4CYP2C9DYRK1A
SCHEMBL22191275 0.82 GAA (0.48) PIK3CBPIK3CACYP3A4CYP2C9DYRK1A
SCHEMBL29437806 0.79 DYRK1A (0.48) PIK3CBPIK3CACYP3A4CYP2C9DYRK1A
SCHEMBL22191264 0.79 DYRK1A (0.48) PIK3CBPIK3CACYP3A4CYP2C9DYRK1A
SCHEMBL22191663 0.77 GAA (0.46) PIK3CBPIK3CACYP3A4CYP2C9DYRK1A
SCHEMBL22191096 0.77 PSEN1 (0.52) DYRK1AMAPTMEN1KMT2ALMNA
SCHEMBL12287060 0.76 DYRK1A (0.35) DYRK1AMAPTGAAPDE3BPDE3A
SCHEMBL29664534 0.76 PIK3CB (0.46) PIK3CBPIK3CACYP3A4CYP2C9DYRK1A
SCHEMBL12289961 0.75 PDE3B (0.41) MAPTPDE3BPDE3A

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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 — — 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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 PIK3CB 311/4885PIK3CA 238/4885CYP3A4 4541/4885

“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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