SCHEMBL1162714

SCHEMBL1162714

N#Cc1c(-c2ccc(Oc3ccccc3)cc2)ccnc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
CRHBP P24387 1/20 0.58
RAB9A P51151 1/20 0.58
CRHR2 Q13324 1/20 0.58
KDM4E B2RXH2 4/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LTA4H P09960 1/20 0.47
GRM2 Q14416 3/20 0.46
LMNA P02545 2/20 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
SCHEMBL16681058 0.86 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1162717 0.82 KDM4E (0.61) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL737913 0.80 LTA4H (0.49) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1162737 0.80 SQOR (0.47) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL22904175 0.79 KMT2A (0.51) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1162752 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1162949 0.79 SQOR (0.46) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1162716 0.77 KDM4E (0.50) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL16936423 0.77 KDM4E (0.54) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1702791 0.77 KDM4E (0.50) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2

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 13 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-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
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-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
EP-2464647-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF Bristol-Myers Squibb Company (US) 2012-06-20 EP 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
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
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 2841/4885MEN1 1697/4885KMT2A 566/4885

“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.