SCHEMBL8401181

SCHEMBL8401181

COc1ccc(-c2cc(C3CCCC3)[nH]c(=O)c2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.57
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MET P08581 1/20 0.49
KDR P35968 1/20 0.49
EGFR P00533 1/20 0.49
GLA P06280 2/20 0.47
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2201597 0.86 RAPGEF4 (0.48) PIM1KDM4EMAPTMEN1KMT2A
SCHEMBL8401152 0.86 ATM (0.48) PIM1KDM4EMAPTMEN1KMT2A
SCHEMBL15500490 0.81 KDM4E (0.44) PIM1KDM4EGLAALDH1A1HPGD
SCHEMBL15500495 0.80 KDM4E (0.45) PIM1KDM4EMAPTMEN1KMT2A
SCHEMBL14344250 0.79 KDM4E (0.43) PIM1KDM4EMETKDRGLA
SCHEMBL2817280 0.79 KDR (0.49) PIM1KDM4EMEN1KMT2AMET
SCHEMBL8535730 0.79 KDM4E (0.59) PIM1KDM4EMAPTMEN1KMT2A
SCHEMBL14366950 0.78 KDM4E (0.43) PIM1KDM4EMETKDRGLA
SCHEMBL2821468 0.78 KDR (0.50) PIM1KDM4EMEN1KMT2AMET
SCHEMBL14341440 0.77 KDM4E (0.50) PIM1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789614-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed
EP-2789614-A1 Azaindazoles as Btk kinase modulators and use thereof Bristol-Myers Squibb Company (US) 2014-10-15 EP disclosed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 US disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 US disclosed
WO-2011019780-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-17 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-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BTK, ABL1, JAK1 PIM1 500/4885KDM4E 728/4885MAPT 4648/4885

“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.