SCHEMBL599376

SCHEMBL599376

Oc1nnc(Br)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
POLB P06746 1/20 0.35
GPR3 P46089 1/20 0.35
KDM4E B2RXH2 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 4/20 0.31
CYP2C19 P33261 3/20 0.31
HTT P42858 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
USP2 O75604 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3260315 0.84 GPR3 (0.45) IDO1POLBGPR3KDM4ETDP1
SCHEMBL30082487 0.84 IDO1 (0.47) IDO1POLBGPR3KDM4ETDP1
SCHEMBL30578353 0.84 GPR3 (0.45) IDO1POLBGPR3KDM4ETDP1
SCHEMBL350637 0.84 IDO1 (0.47) IDO1POLBGPR3KDM4ETDP1
Hydrazine SCHEMBL10949625 0.79 KDM4E (0.46) IDO1POLBGPR3KDM4ETDP1
SCHEMBL29426530 0.77 ALOX15 (0.38) CYP1A2CYP2C19HPGDMEN1KMT2A
SCHEMBL26732579 0.77 ALOX15 (0.38) CYP1A2CYP2C19HPGDMEN1KMT2A
SCHEMBL30451573 0.77 ALOX15 (0.38) CYP1A2CYP2C19HPGDMEN1KMT2A
SCHEMBL26732576 0.77 ALOX15 (0.38) CYP1A2CYP2C19HPGDMEN1KMT2A
SCHEMBL28982421 0.75 GPR3 (0.38) GPR3KDM4ETDP1L3MBTL1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772481-B2 Aza- and diaza-phthalazine compounds as P38 map kinase modulators and methods of use thereof AMGEN INC. (US) 2014-07-08 US disclosed
US-8497269-B2 Phthalazine compounds as p38 map kinase modulators and methods of use thereof AMGEN INC. (US) 2013-07-30 US disclosed
US-20120108587-A1 Aza- and Diaza-Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof AMGEN INC. (US) 2012-05-03 US disclosed
US-20120040983-A1 Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof AMGEN INC. (US) 2012-02-16 US disclosed
WO-2010042649-A2 PHTHALAZINE COMPOUNDS AS p38 MAP KINASE MODULATORS AND METHODS OF USE THEREOF AMGEN INC. (US) 2010-04-15 WO disclosed
WO-2010042646-A1 AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AS P38 MAP KINASE MODULATORS AND METHODS OF USE THEREOF AMGEN INC. (US) 2010-04-15 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 (2 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-20120108587-A1 Aza- and Diaza-Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof MAPK1, MAPK3, MAPK12 IDO1 1070/4885POLB 3158/4885GPR3 688/4885
US-20120040983-A1 Phthalazine Compounds as P38 Map Kinase Modulators and Methods of Use Thereof MAPK1, MAPK4, MAPK12 IDO1 2908/4885POLB 3485/4885GPR3 704/4885

“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.