SCHEMBL17534997

SCHEMBL17534997

CCOC(=O)c1c(C2=CCN(C(=O)OC(C)(C)C)CC2)n(COCC[Si](C)(C)C)c2nccc(Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.37
WNT3A P56704 1/20 0.37
GRM1 Q13255 7/20 0.36
GRM5 P41594 6/20 0.36
ADORA1 P30542 1/20 0.36
EED O75530 1/20 0.35
RBBP4 Q09028 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
TNK2 Q07912 1/20 0.35
CDK9 P50750 2/20 0.35
CNR1 P21554 1/20 0.35
PDK4 Q16654 1/20 0.34
NAMPT P43490 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL17535146 0.84 CDK9 (0.47) CDK9
SCHEMBL17837491 0.80 GRM1 (0.41) DGAT2WNT3AGRM1GRM5EED
SCHEMBL16052625 0.75 NPC1 (0.35)
SCHEMBL17837729 0.75 GRM1 (0.44) WNT3AGRM1GRM5EEDRBBP4
SCHEMBL17704152 0.74 CDK9 (0.48) WNT3AGRM1GRM5EEDRBBP4
SCHEMBL23294320 0.73 GRM1 (0.44) WNT3AGRM1GRM5ADORA1TNK2
SCHEMBL17837904 0.72 GRM1 (0.42) WNT3AGRM1GRM5EEDRBBP4
SCHEMBL16052395 0.72 CDK9 (0.55) CDK9
SCHEMBL16051630 0.71 MAPT (0.41)
SCHEMBL12874666 0.70 GRM1 (0.49) DGAT2GRM1GRM5EEDRBBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 DGAT2 4827/4885WNT3A 2217/4885GRM1 2475/4885

“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.