SCHEMBL8401183

SCHEMBL8401183

COc1ccc(-c2cc(C3CCCC3)nc(Cl)c2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
HPGD P15428 10/20 0.51
KDM4E B2RXH2 9/20 0.51
MAPT P10636 7/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPSR1 Q6W5P4 5/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SQOR Q9Y6N5 2/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
PAX8 Q06710 1/20 0.45

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
SCHEMBL1162704 0.99 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL8401168 0.87 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL1162613 0.84 ADORA1 (0.49) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL1162880 0.83 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL1162750 0.82 PIM1 (0.51) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL8534958 0.81 KDM4E (0.51) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL1623590 0.79 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL2199875 0.76 ADORA2A (0.51) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL1162823 0.76 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL11362158 0.75 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTL3MBTL1

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 ALDH1A1 2841/4885HPGD 4271/4885KDM4E 728/4885

“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.