SCHEMBL2462584

SCHEMBL2462584

COc1nnc(I)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
RXFP1 Q9HBX9 4/20 0.53
LCK P06239 2/20 0.52
MAPK14 Q16539 2/20 0.52
KDR P35968 1/20 0.52
BRAF P15056 1/20 0.52
KIT P10721 1/20 0.51
SRC P12931 1/20 0.51
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 2/20 0.49
CSF1R P07333 1/20 0.49
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL2459361 0.96 MAPT (0.55) MAPTRXFP1LCKMAPK14KDR
SCHEMBL2462967 0.89 MAPT (0.65) MAPTRXFP1LCKMAPK14KIT
SCHEMBL2461431 0.88 MAPT (0.55) MAPTRXFP1LCKMAPK14KDR
SCHEMBL2459887 0.86 MAPT (0.55) MAPTRXFP1LCKMAPK14KDR
SCHEMBL2457417 0.85 MAPT (0.60) MAPTRXFP1LCKMAPK14KIT
SCHEMBL2456475 0.84 MAPT (0.55) MAPTRXFP1LCKMAPK14KDR
SCHEMBL2462224 0.83 MAPT (0.52) MAPTRXFP1LCKMAPK14KDR
SCHEMBL2460892 0.83 MAPT (0.60) MAPTRXFP1LCKMAPK14KIT
SCHEMBL2465864 0.82 MAPT (0.55) MAPTRXFP1LCKMAPK14KDR
SCHEMBL2459889 0.80 MAPT (0.53) MAPTRXFP1LCKMAPK14KDR

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 653/4885RXFP1 4802/4885LCK 271/4885

“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.