Sugi Predict

Sugi Predict / Compounds / SCHEMBL8401152

SCHEMBL8401152

SCHEMBL8401152

N#Cc1c(-c2ccc(Oc3ccccc3)cc2)cc(C2CCCC2)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.48
▸ PIM1 P11309 8/20 0.44
▸ MET P08581 3/20 0.43
▸ KDR P35968 3/20 0.43
▸ BIRC5 O15392 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GSTP1 P09211 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RAPGEF4 Q8WZA2 1/20 0.39
▸ GRM2 Q14416 1/20 0.39

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
SCHEMBL8401181 0.86 PIM1 (0.57) PIM1METKDRKDM4EALDH1A1
SCHEMBL2202248 0.86 ATM (0.41) ATMPIM1METKDRBIRC5
SCHEMBL2201597 0.82 RAPGEF4 (0.48) ATMPIM1METKDRKDM4E
SCHEMBL8534913 0.80 ATM (0.48) ATMPIM1METKDRKDM4E
SCHEMBL15500490 0.79 KDM4E (0.44) ATMPIM1BIRC5KDM4EALDH1A1
SCHEMBL15500495 0.78 KDM4E (0.45) ATMPIM1METKDRBIRC5
SCHEMBL2817280 0.77 KDR (0.49) ATMPIM1METKDRBIRC5
SCHEMBL14344250 0.77 KDM4E (0.43) ATMPIM1METKDRBIRC5
SCHEMBL2200264 0.77 MAOB (0.39) ATMPIM1KDM4EALDH1A1GLA
SCHEMBL2201206 0.76 PIM1 (0.47) ATMPIM1BIRC5KDM4EALDH1A1

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 ATM 503/4885PIM1 500/4885MET 1869/4885

“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.