SCHEMBL8401178

SCHEMBL8401178

N#Cc1c(C2CCCC2)cc(-c2ccc(Oc3ccccc3)cc2)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
HPGD P15428 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.44
GLA P06280 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
ADRB2 P07550 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SQOR Q9Y6N5 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
BTK Q06187 2/20 0.39
DHODH Q02127 1/20 0.38

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
SCHEMBL8534916 0.87 HPGD (0.43) L3MBTL1HPGDSMN1; SMN2KMT2AGLA
SCHEMBL8534958 0.87 KDM4E (0.51) L3MBTL1HPGDKMT2AGLAMEN1
SCHEMBL8401218 0.83 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL8401200 0.83 L3MBTL1 (0.49) L3MBTL1HPGDSMN1; SMN2KMT2AGLA
SCHEMBL8401168 0.81 ALDH1A1 (0.53) L3MBTL1HPGDKMT2AGLAMEN1
SCHEMBL8401167 0.81 BTK (0.38) TDP1ADORA2AADORA1BTKDHODH
SCHEMBL8401364 0.75 HPGD (0.60) L3MBTL1HPGDSMN1; SMN2KMT2AGLA
SCHEMBL1162823 0.75 ALDH1A1 (0.61) L3MBTL1HPGDKMT2AGLAMEN1
SCHEMBL8534913 0.74 ATM (0.48) HPGDKMT2AGLAMEN1MAPT
SCHEMBL8535627 0.74 ALDH1A1 (0.52) L3MBTL1HPGDSMN1; SMN2KMT2AGLA

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 L3MBTL1 1741/4885HPGD 4271/4885SMN1; SMN2 4433/4885

“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.