SCHEMBL2998359

SCHEMBL2998359

COc1ccnc2c1c(C(C)=O)cn2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
SRC P12931 2/20 0.41
TGFBR1 P36897 2/20 0.41
UBE2N P61088 1/20 0.38
IKBKB O14920 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
BRD4 O60885 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
AXL P30530 1/20 0.35
POLB P06746 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
SCHEMBL2999849 0.76 LMNA (0.49) SMN1; SMN2KMT2ALMNAHTTMEN1
SCHEMBL2988219 0.73 CDK5 (0.45) CDK5CDK5R1UBE2NIKBKB
SCHEMBL15077828 0.70 BRD4 (0.56) CDK5CDK5R1BRD4L3MBTL1
SCHEMBL2989355 0.69 CCNT1 (0.50) CDK5CDK5R1SRCTGFBR1IKBKB
SCHEMBL334854 0.67 CA12 (0.47) SRCTGFBR1SMN1; SMN2KMT2ALMNA
Meriolin 9 SCHEMBL3003069 0.67 CDK5 (1.00) CDK5CDK5R1ALDH1A1RAB9A
SCHEMBL22554085 0.67 KDM4C (0.40) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL6432422 0.66 MEN1 (0.34) CDK5CDK5R1SRCTGFBR1SMN1; SMN2
SCHEMBL7064238 0.65 MEN1 (0.38) SMN1; SMN2KMT2AMEN1GAARAB9A
Potassium Ion SCHEMBL7063083 0.65 MEN1 (0.33) CDK5CDK5R1SRCTGFBR1SMN1; SMN2

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 CDK5 15/4885CDK5R1 64/4885SRC 3495/4885

“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.