SCHEMBL1711234

SCHEMBL1711234

O=C(O)c1ccc(F)c(-c2ccc(OCc3ccccc3)cc2F)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.53
MCL1 Q07820 3/20 0.48
MRGPRX4 Q96LA9 2/20 0.46
NR4A2 P43354 2/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
P2RY14 Q15391 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
SRD5A2 P31213 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TOP1 P11387 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL31086447 0.84 MCL1 (0.57) P4HTMMCL1MRGPRX4NR4A2NR4A1
SCHEMBL29254808 0.84 MCL1 (0.57) P4HTMMCL1MRGPRX4NR4A2NR4A1
SCHEMBL1711597 0.79 MRGPRX4 (0.46) P4HTMMCL1MRGPRX4NR4A2NR4A1
SCHEMBL31580570 0.76 P4HTM (0.62) P4HTMMCL1MRGPRX4NR4A2NR4A1
SCHEMBL24006156 0.75 P4HTM (0.54) P4HTMMCL1MRGPRX4NR4A2NR4A1
SCHEMBL1711387 0.75 KMO (0.54) KDM4EALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL2997270 0.75 MAOB (0.62) MCL1MRGPRX4NR4A2NR4A1NR4A3
SCHEMBL21864940 0.75 P4HTM (0.61) P4HTMMCL1MRGPRX4NR4A2NR4A1
SCHEMBL319496 0.74 MGAM (0.44) P4HTMKDM4EMAOA
SCHEMBL1495294 0.74 CTSV (0.60) P4HTMMCL1MRGPRX4NR4A2NR4A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 US disclosed
EP-2344474-B1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 US disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 US disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 US disclosed
US-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 US disclosed
US-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 US disclosed
US-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 US disclosed
US-8329732-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-12-11 US disclosed
US-8329732-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-12-11 US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 US disclosed
EP-2344474-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2011-07-20 EP disclosed
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 US 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 (4 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-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 P4HTM 2165/4885MCL1 76/4885MRGPRX4 4414/4885
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 P4HTM 2165/4885MCL1 76/4885MRGPRX4 4414/4885
US-20100056576-A1 Kinase inhibitors and methods of their use PIM1, PIM2, PIM3 P4HTM 2165/4885MCL1 76/4885MRGPRX4 4414/4885
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 P4HTM 2165/4885MCL1 76/4885MRGPRX4 4414/4885

“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.