SCHEMBL21784426

SCHEMBL21784426

COc1c(-c2cnn(C)c2)cccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
BRD4 O60885 1/20 0.40
AXL P30530 1/20 0.40
PDK2 Q15119 2/20 0.40
IRAK1 P51617 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
TYK2 P29597 3/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
LCK P06239 1/20 0.38
BTK Q06187 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 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
SCHEMBL27316393 0.82 TTK (0.46) TTKCCNA2CDK2BRD4PDK2
SCHEMBL10094326 0.82 BRD4 (0.50) BRD4AXLPDK2IRAK1IRAK4
SCHEMBL19589893 0.81 BRD4 (0.43) BRD4AXLPDK2IRAK1IRAK4
SCHEMBL16962731 0.81 TTK (0.46) TTKCCNA2CDK2BRD4PDK2
SCHEMBL17806587 0.79 PDK2 (0.44) BRD4AXLPDK2IRAK1IRAK4
SCHEMBL24498531 0.79 TTK (0.43) TTKCCNA2CDK2BRD4PDK2
SCHEMBL15690351 0.79 SMARCA2 (0.52) TTKCCNA2CDK2BRD4PDK2
SCHEMBL20004004 0.79 PDK2 (0.47) TTKCCNA2CDK2BRD4PDK2
SCHEMBL18415016 0.77 PDK2 (0.42) TTKCCNA2CDK2BRD4PDK2
SCHEMBL17198730 0.77 BRD4 (0.43) TTKCCNA2CDK2BRD4PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 WO disclosed
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed
WO-2022189810-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2022-09-15 WO disclosed
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 TTK 165/4885CCNA2 1143/4885CDK2 360/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 TTK 165/4885CCNA2 1143/4885CDK2 360/4885

“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.