SCHEMBL16048880

SCHEMBL16048880

CN(C)C(=O)N1CC=C(c2cc3c(Cl)ncnc3n2S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HTR6 P50406 1/20 0.36
PKM P14618 2/20 0.36
BTK Q06187 5/20 0.35
EGLN1 Q9GZT9 1/20 0.35
GAA P10253 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
SOS1 Q07889 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HRH1 P35367 1/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
TMEM97 Q5BJF2 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
SCHEMBL5001708 0.85 HTR6 (0.53) HTR6GRM5GRM1
SCHEMBL23121219 0.85 EGLN1 (0.39) KMT2AMEN1EGLN1GAATRPV1
SCHEMBL16048459 0.83 ALDH1A1 (0.44) CCNT1CDK9KMT2AMEN1PKM
SCHEMBL16535482 0.81 KMT2A (0.47) CCNT1CDK9KMT2AMEN1PKM
SCHEMBL29607952 0.79 KIT (0.49) HTR6GRM5GRM1
SCHEMBL15525366 0.79 KIT (0.49) HTR6GRM5GRM1
SCHEMBL16049107 0.76 HTR6 (0.51) HTR6
SCHEMBL4316687 0.73 ALDH1A1 (0.38) CCNT1CDK9KMT2AMEN1HTR6
SCHEMBL3538021 0.73 SRC (0.40) KMT2AMEN1ALDH1A1
SCHEMBL16113368 0.73 HTR6 (0.35) HTR6

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-9346813-B2 Substituted pyrrolo[2,3-d]pyrimindines as CDK9 kinase inhibitors ABBVIE INC. (US) 2016-05-24 US disclosed
US-20140275004-A1 PYRROLOPYRIMINDINE 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-20140275004-A1 PYRROLOPYRIMINDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CCNT1 36/4885CDK9 1/4885KMT2A 670/4885

“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.