SCHEMBL2459889

SCHEMBL2459889

COc1nnc(-c2ccccn2)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
BRAF P15056 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
KCNK3 O14649 1/20 0.48
CES1 P23141 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
KDR P35968 2/20 0.47
TEK Q02763 1/20 0.47
LCK P06239 1/20 0.47
MAPK14 Q16539 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL2462224 0.87 MAPT (0.52) MAPTKDM4EMAPK1BRAFRXFP1
SCHEMBL2459664 0.87 MAPT (0.55) MAPTKDM4EMAPK1POLBAPEX1
SCHEMBL2459361 0.82 MAPT (0.55) MAPTKDM4EBRAFRXFP1KCNK3
SCHEMBL2459887 0.82 MAPT (0.55) MAPTKDM4EBRAFRXFP1KCNK3
SCHEMBL2461431 0.80 MAPT (0.55) MAPTKDM4EBRAFRXFP1KCNK3
SCHEMBL2462584 0.80 MAPT (0.55) MAPTKDM4EBRAFRXFP1KCNK3
SCHEMBL4995098 0.77 KDM4E (0.48) MAPTKDM4E
SCHEMBL22679931 0.74 KDR (0.62) MAPTKDM4EMAPK1POLBBRAF
SCHEMBL2464049 0.74 KDR (0.51) BRAFTSHRKDR
SCHEMBL2459312 0.73 MAPT (0.56) MAPTKDM4EMAPK1POLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 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 (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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 MAPT 653/4885KDM4E 761/4885MAPK1 363/4885

“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.