SCHEMBL2462967

SCHEMBL2462967

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
KCNK3 O14649 2/20 0.57
RXFP1 Q9HBX9 5/20 0.57
P2RX1 P51575 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
TSHR P16473 1/20 0.56
LCK P06239 1/20 0.55
KIT P10721 1/20 0.55
SRC P12931 1/20 0.55
MAPK14 Q16539 1/20 0.55
PTGS1 P23219 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
POLB P06746 1/20 0.55
KCNK9 Q9NPC2 1/20 0.54
CSF1R P07333 1/20 0.53

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
SCHEMBL2460892 0.93 MAPT (0.60) MAPTKCNK3RXFP1P2RX1LMNA
SCHEMBL2457417 0.93 MAPT (0.60) MAPTKCNK3RXFP1P2RX1LMNA
SCHEMBL2456475 0.89 MAPT (0.55) MAPTKCNK3RXFP1P2RX1LMNA
SCHEMBL2462584 0.89 MAPT (0.55) MAPTKCNK3RXFP1KMT2AMEN1
SCHEMBL2459361 0.89 MAPT (0.55) MAPTKCNK3RXFP1KMT2AMEN1
SCHEMBL2465864 0.89 MAPT (0.55) MAPTKCNK3RXFP1P2RX1LMNA
SCHEMBL2462701 0.85 RXFP1 (0.55) MAPTKCNK3RXFP1LMNAKMT2A
SCHEMBL2459016 0.85 RXFP1 (0.55) MAPTKCNK3RXFP1LMNAKMT2A
SCHEMBL2459015 0.83 MAPT (0.65) MAPTKCNK3RXFP1P2RX1LMNA
SCHEMBL24141032 0.81 MAPT (0.84) MAPTKCNK3RXFP1P2RX1LMNA

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 653/4885KCNK3 1197/4885RXFP1 4802/4885

“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.