SCHEMBL2459664

SCHEMBL2459664

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(O)nnc(-c3ccccn3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.53
APEX1 P27695 1/20 0.53
KCNK3 O14649 1/20 0.52
LMNA P02545 2/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TSHR P16473 1/20 0.51
CES1 P23141 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
BRAF P15056 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
P2RX1 P51575 1/20 0.48
RAB9A P51151 2/20 0.47
PTGS1 P23219 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
AURKA O14965 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
SCHEMBL2459889 0.87 MAPT (0.53) MAPTPOLBAPEX1KCNK3LMNA
SCHEMBL2459312 0.86 MAPT (0.56) MAPTPOLBKCNK3LMNAMEN1
SCHEMBL2460892 0.81 MAPT (0.60) MAPTPOLBKCNK3LMNAMEN1
SCHEMBL2457554 0.81 MAPT (0.60) MAPTPOLBKCNK3LMNAMEN1
SCHEMBL2461282 0.80 MAPT (0.58) MAPTPOLBKCNK3LMNAMEN1
SCHEMBL2457417 0.79 MAPT (0.60) MAPTPOLBKCNK3LMNAMEN1
SCHEMBL2456847 0.79 MAPT (0.60) MAPTPOLBKCNK3LMNAMEN1
SCHEMBL4990697 0.75 KDM4E (0.52) RAB9ANPC1KDM4E
SCHEMBL2459923 0.74 MAPT (0.60) MAPTPOLBKCNK3LMNAMEN1
SCHEMBL13824203 0.74 MAPT (0.53) MAPTPOLBAPEX1KCNK3LMNA

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 10 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 claimed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
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-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-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
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 US disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 MAPT 653/4885POLB 3139/4885APEX1 2561/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 MAPT 653/4885POLB 3139/4885APEX1 2561/4885

“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.