SCHEMBL10256147

SCHEMBL10256147

CN1CCN(c2ccc(Nc3cc(B4OC(C)(C)C(C)(C)O4)nn(C)c3=O)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.43
▸ FLT3 P36888 5/20 0.42
▸ WEE1 P30291 1/20 0.42
▸ CDK4 P11802 5/20 0.42
▸ CCND1 P24385 5/20 0.42
▸ CCND3 P30281 4/20 0.42
▸ CDK6 Q00534 4/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCNT1 O60563 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ MNAT1 P51948 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ MAP4K1 Q92918 5/20 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
SCHEMBL18627584 0.90 BTK (0.42) BTKFLT3WEE1CDK4CCND1
SCHEMBL10289460 0.87 BTK (0.40) BTKFLT3WEE1CDK4CCND1
SCHEMBL20329161 0.83 CDK4 (0.43) BTKCDK4CCND1CCND3CDK6
SCHEMBL29741963 0.82 BTK (0.47) BTKFLT3WEE1MAP4K1
SCHEMBL1725566 0.82 BTK (0.47) BTKFLT3WEE1MAP4K1
SCHEMBL610952 0.80 WEE1 (0.51) BTKFLT3WEE1CDK4CCND1
SCHEMBL10201680 0.77 KDM4E (0.51) BTKCCNT1CDK9
SCHEMBL14706931 0.76 CDK4 (0.39) BTKFLT3CDK4CCND1CCND3
SCHEMBL10201997 0.74 BTK (0.39) BTK
SCHEMBL1727460 0.74 BTK (0.44) BTKCCND3CDK6CDK9MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2017-03-16 — — US disclosed
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2017-03-16 — — US disclosed
US-9505785-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2016-11-29 — — US disclosed
US-9505785-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2016-11-29 — — US disclosed
EP-2566869-B1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT INC (US) 2016-03-02 — — EP disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 — — 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 (2 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-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK BTK 2/4885FLT3 175/4885WEE1 844/4885
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK BTK 2/4885FLT3 216/4885WEE1 1158/4885

“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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