SCHEMBL2462701

SCHEMBL2462701

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(I)nnc(NCc3ccccc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.55
KDR P35968 3/20 0.51
DDR2 Q16832 3/20 0.51
DDR1 Q08345 2/20 0.51
MAPT P10636 2/20 0.50
KCNK3 O14649 1/20 0.50
FLT1 P17948 2/20 0.49
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
CSF1R P07333 1/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
FLT4 P35916 1/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 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
SCHEMBL2459016 0.96 RXFP1 (0.55) RXFP1KDRDDR2DDR1MAPT
SCHEMBL14548725 0.89 RXFP1 (0.53) RXFP1KDRDDR2DDR1MAPT
SCHEMBL2457621 0.89 RXFP1 (0.55) RXFP1KDRDDR2DDR1MAPT
SCHEMBL12333659 0.89 DDR2 (0.55) RXFP1KDRDDR2DDR1MAPT
SCHEMBL14548726 0.87 RXFP1 (0.53) RXFP1KDRDDR2DDR1MAPT
SCHEMBL12333654 0.87 DDR2 (0.55) RXFP1KDRDDR2DDR1MAPT
SCHEMBL2459069 0.87 RXFP1 (0.55) RXFP1KDRDDR2DDR1MAPT
SCHEMBL2462967 0.85 MAPT (0.65) RXFP1MAPTKCNK3CSF1RKIT
SCHEMBL2462200 0.85 KDR (0.53) RXFP1KDRDDR2DDR1MAPT
SCHEMBL2459579 0.83 RXFP1 (0.55) RXFP1KDRDDR2DDR1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 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-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
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 (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 RXFP1 4802/4885KDR 1539/4885DDR2 1778/4885

“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.