SCHEMBL2464277

SCHEMBL2464277

O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(O)nnc(Cl)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.55
KCNQ2 O43526 2/20 0.55
KCNE1 P15382 2/20 0.55
KCNQ1 P51787 2/20 0.55
TRPV1 Q8NER1 5/20 0.51
PTGS1 P23219 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
RORC P51449 1/20 0.50
POLB P06746 1/20 0.49
P2RX1 P51575 1/20 0.48
P2RX4 Q99571 1/20 0.48
P2RX7 Q99572 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL2457291 0.95 KCNQ3 (0.55) KCNQ3KCNQ2KCNE1KCNQ1TRPV1
SCHEMBL2457554 0.87 MAPT (0.60) KCNQ3KCNQ2KCNE1KCNQ1PTGS1
SCHEMBL2461282 0.86 MAPT (0.58) KCNQ3KCNQ2KCNE1KCNQ1PTGS1
SCHEMBL2465560 0.84 TMPRSS4 (0.54) KCNQ3KCNQ2KCNE1KCNQ1TRPV1
SCHEMBL2459540 0.84 JAK2 (0.49) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL2456847 0.83 MAPT (0.60) KCNQ3KCNQ2KCNE1KCNQ1PTGS1
SCHEMBL2459103 0.80 TMPRSS4 (0.54) KCNQ3KCNQ2KCNE1KCNQ1TRPV1
SCHEMBL2459015 0.80 MAPT (0.65) KCNQ3KCNQ2KCNE1KCNQ1PTGS1
SCHEMBL2461216 0.79 JAK2 (0.49) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL2459561 0.76 LCK (0.46) NPC1RAB9AMAPTKMT2A

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 8 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-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
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 KCNQ3 2206/4885KCNQ2 1800/4885KCNE1 2171/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 KCNQ3 2206/4885KCNQ2 1800/4885KCNE1 2171/4885

“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.