SCHEMBL15660258

SCHEMBL15660258

CC(C)(CO)C(=O)Nc1c[nH]nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ TP53 P04637 2/20 0.41

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
SCHEMBL12659574 0.89 KDM4E (0.57) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL15661917 0.88 KDM4E (0.42) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL20215799 0.86 KDM4E (0.41) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL1646652 0.84 TP53 (0.44) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL1646700 0.83 AURKA (0.59) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL1645085 0.82 HPSE (0.45) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL15660254 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL1646052 0.78 CDK1 (0.61) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL1645956 0.78 ALDH1A1 (0.59) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL15661182 0.77 MAPT (0.48) KDM4EALDH1A1HPGDNPSR1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 — — US claimed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 — — US claimed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 — — US disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 — — US disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 — — US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 — — US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 — — US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 — — US disclosed
WO-2014064134-A1 3,4-DISUBSTITUTED 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 — — WO disclosed
WO-2014064134-A1 3,4-DISUBSTITUTED 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 — — WO 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-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK SYK, BTK, IRAK4 KDM4E 528/4885ALDH1A1 2688/4885HPGD 2948/4885

“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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