SCHEMBL15560997

SCHEMBL15560997

CC(C)(C)OC(=O)N1CC=C(c2ccc(-c3cnc4[nH]ccc4c3)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.55
CDK9 P50750 3/20 0.49
FEN1 P39748 5/20 0.46
ALOX5AP P20292 4/20 0.46
CCNT1 O60563 1/20 0.46
PIK3CA P42336 1/20 0.45
BRD4 O60885 1/20 0.44
GRM5 P41594 4/20 0.44
GRM1 Q13255 4/20 0.44
CYP11B2 P19099 1/20 0.43
PDK4 Q16654 1/20 0.43
NAMPT P43490 1/20 0.43
WNT3A P56704 1/20 0.42

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
SCHEMBL28503231 0.91 JAK1 (0.56) JAK1CDK9CCNT1PIK3CABRD4
SCHEMBL15561004 0.82 GRM5 (0.47) JAK1CDK9CCNT1BRD4GRM5
SCHEMBL1199494 0.79 GRM5 (0.55) CDK9CCNT1GRM5GRM1PDK4
SCHEMBL13993111 0.78 GRM1 (0.57) JAK1CDK9CCNT1GRM5GRM1
SCHEMBL15556267 0.78 JAK1 (0.49) JAK1FEN1ALOX5APPIK3CA
SCHEMBL30659278 0.78 JAK1 (0.54) JAK1CDK9CCNT1BRD4GRM5
SCHEMBL31442803 0.78 JAK1 (0.54) JAK1CDK9CCNT1BRD4GRM5
SCHEMBL15778894 0.78 NR1H2 (0.53) JAK1PIK3CA
SCHEMBL15778686 0.78 ESR2 (0.54) JAK1PIK3CA
SCHEMBL28499853 0.78 PLK4 (0.45) JAK1CDK9FEN1ALOX5APCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US disclosed
EP-2867233-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2015-05-06 EP disclosed
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 WO 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-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 JAK1 83/4885CDK9 284/4885FEN1 3476/4885

“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.