SCHEMBL2460892

SCHEMBL2460892

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(O)nnc(I)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
KCNK3 O14649 2/20 0.53
RXFP1 Q9HBX9 4/20 0.53
P2RX1 P51575 1/20 0.52
TSHR P16473 1/20 0.52
LCK P06239 1/20 0.52
KIT P10721 1/20 0.52
SRC P12931 1/20 0.52
MAPK14 Q16539 1/20 0.52
PTGS1 P23219 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.51
AKR1C3 P42330 1/20 0.51
KCNK9 Q9NPC2 1/20 0.50
CSF1R P07333 1/20 0.50

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
SCHEMBL2457417 0.96 MAPT (0.60) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL2462967 0.93 MAPT (0.65) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL2457554 0.87 MAPT (0.60) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL2461282 0.86 MAPT (0.58) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL2459361 0.85 MAPT (0.55) MAPTMEN1KMT2ARAB9AKCNK3
SCHEMBL2465864 0.85 MAPT (0.55) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL2456847 0.84 MAPT (0.60) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL2459312 0.84 MAPT (0.56) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL2462584 0.83 MAPT (0.55) MAPTMEN1KMT2ARAB9AKCNK3
SCHEMBL2456475 0.83 MAPT (0.55) MAPTMEN1KMT2ALMNARAB9A

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

“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.