SCHEMBL2994099

SCHEMBL2994099

CCCOc1ccnc2[nH]cc(C(C)=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.53
CDK9 P50750 3/20 0.53
CDK5 Q00535 3/20 0.53
CDK5R1 Q15078 3/20 0.53
CCNA2 P20248 2/20 0.53
CDK2 P24941 2/20 0.53
CCNA1 P78396 2/20 0.53
MAP3K7 O43318 2/20 0.45
TAB1 Q15750 2/20 0.45
IKBKB O14920 1/20 0.43
MAP2K1 Q02750 1/20 0.42
CA9 Q16790 2/20 0.40
NUDT1 P36639 1/20 0.39
CYP2D6 P10635 1/20 0.38
JAK3 P52333 4/20 0.37
JAK2 O60674 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2989659 0.89 CCNT1 (0.51) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL2989355 0.83 CCNT1 (0.50) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL2989963 0.78 ROCK2 (0.48) CCNA2CDK2CCNA1MAP3K7TAB1
SCHEMBL31472565 0.77 CDK5 (0.57) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL25422650 0.77 CDK5 (0.57) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL12146879 0.75 MAP3K7 (0.46) CDK9CDK5CDK2MAP3K7TAB1
SCHEMBL30093755 0.74 MET (0.44) MAP3K7TAB1MAP2K1JAK3JAK2
SCHEMBL30134852 0.74 MAP3K7 (0.45) CDK9CDK5CDK2MAP3K7TAB1
SCHEMBL1839435 0.74 LRRK2 (0.51) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL25644357 0.71 CCNT1 (0.51) CCNT1CDK9CDK5CDK5R1CCNA2

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
EP-2125803-B1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2013-04-10 EP disclosed
US-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 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-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF BAD, PPOX, CASP3 CCNT1 1121/4885CDK9 527/4885CDK5 15/4885

“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.