SCHEMBL29437824

SCHEMBL29437824

O=c1[nH]c2ccc(-c3cnc(NCc4ccc(F)cc4)cn3)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TPH1 P17752 3/20 0.43
▸ DYRK1A Q13627 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GFER P55789 1/20 0.40

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
SCHEMBL22191476 1.00 GAA (0.44) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL22191266 0.88 TPH1 (0.49) ALDH1A1HPGDMEN1KMT2ATPH1
SCHEMBL22191831 0.86 GPR55 (0.57) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL22191333 0.85 AURKA (0.53) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL22191291 0.84 CLK4 (0.46) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL22191096 0.82 PSEN1 (0.52) GAAMAPTALDH1A1GPR55MEN1
SCHEMBL22190998 0.81 GAA (0.47) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL22191308 0.79 MKNK1 (0.53) GAAMAPTMEN1KMT2ADYRK1A
SCHEMBL22191410 0.75 MAPT (0.50) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL22191542 0.75 MEN1 (0.44) GAAMAPTKDM4EALDH1A1HPGD

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 GAA 1058/4885MAPT 1414/4885KDM4E 2556/4885

“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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