SCHEMBL2459923

SCHEMBL2459923

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(O)nncc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
TSHR P16473 1/20 0.55
ATM Q13315 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
KCNK3 O14649 1/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
APAF1 O14727 1/20 0.53
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
BLM P54132 1/20 0.53
MCL1 Q07820 1/20 0.53
ESR2 Q92731 1/20 0.53
LMNA P02545 2/20 0.52
P2RX1 P51575 1/20 0.52
KIT P10721 4/20 0.52
MAPK14 Q16539 4/20 0.52

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
SCHEMBL2459579 0.81 RXFP1 (0.55) MAPTKMT2AMEN1ATMRXFP1
SCHEMBL2457417 0.80 MAPT (0.60) MAPTKMT2AMEN1TSHRRXFP1
SCHEMBL2460892 0.80 MAPT (0.60) MAPTKMT2AMEN1TSHRRXFP1
SCHEMBL2457554 0.80 MAPT (0.60) MAPTKMT2AMEN1TSHRRXFP1
SCHEMBL2456847 0.80 MAPT (0.60) MAPTKMT2AMEN1TSHRRXFP1
SCHEMBL2461282 0.79 MAPT (0.58) MAPTKMT2AMEN1TSHRRXFP1
SCHEMBL24141032 0.78 MAPT (0.84) MAPTKMT2AMEN1TSHRRXFP1
SCHEMBL2459312 0.78 MAPT (0.56) MAPTKMT2AMEN1TSHRRXFP1
SCHEMBL2462967 0.77 MAPT (0.65) MAPTKMT2AMEN1TSHRRXFP1
SCHEMBL2459015 0.77 MAPT (0.65) MAPTKMT2AMEN1TSHRRXFP1

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 653/4885KMT2A 502/4885MEN1 2282/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 MAPT 653/4885KMT2A 502/4885MEN1 2282/4885

“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.