SCHEMBL16040944

SCHEMBL16040944

CC(C)(C)OC(=O)N1CC=C(c2cc3c(-c4cccc(F)n4)ccnc3n2S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
GRM1 Q13255 11/20 0.43
GRM5 P41594 10/20 0.43
PDK4 Q16654 1/20 0.43
CDK9 P50750 5/20 0.42
CCNT1 O60563 2/20 0.42
TNK2 Q07912 1/20 0.39
EED O75530 1/20 0.39
RBBP4 Q09028 1/20 0.39
SUZ12 Q15022 1/20 0.39
EZH2 Q15910 1/20 0.39

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
SCHEMBL16039939 0.84 HTR6 (0.51) HTR6GRM1GRM5PDK4CDK9
SCHEMBL16039506 0.84 CCNT1 (0.55) HTR6CDK9CCNT1
SCHEMBL16040507 0.84 CDK9 (0.46) HTR6GRM1GRM5PDK4CDK9
SCHEMBL4318186 0.84 HTR6 (0.53) HTR6GRM1GRM5PDK4CDK9
SCHEMBL16040458 0.80 HTR6 (0.51) HTR6GRM1GRM5PDK4CDK9
SCHEMBL17535060 0.80 CDK9 (0.51) CDK9CCNT1
SCHEMBL16050699 0.80 CDK9 (0.44) HTR6GRM1GRM5PDK4CDK9
SCHEMBL5001708 0.79 HTR6 (0.53) HTR6GRM1GRM5PDK4TNK2
SCHEMBL16052375 0.79 CDK9 (0.43) HTR6GRM1GRM5CDK9CCNT1
SCHEMBL17535031 0.79 CDK9 (0.43) HTR6GRM1GRM5PDK4CDK9

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-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 US disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 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-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 HTR6 3977/4885GRM1 2123/4885GRM5 1764/4885

“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.