SCHEMBL22919210

SCHEMBL22919210

Fc1cc(COc2ccc(I)nn2)cnc1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.35
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
APP P05067 1/20 0.31
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29407122 0.77 ENPP2 (0.45) ENPP2GAA
SCHEMBL22919209 0.77 ENPP2 (0.45) ENPP2GAA
SCHEMBL2997865 0.74 APP (0.51) APP
SCHEMBL3002786 0.70 LMNA (0.49) HDAC6APPGAAALDH1A1
SCHEMBL21878506 0.69 ENPP2 (0.43) ENPP2APPALDH1A1
SCHEMBL31098257 0.69 ENPP2 (0.43) ENPP2APPALDH1A1
SCHEMBL22919196 0.69 ENPP2 (0.43) ENPP2
SCHEMBL29405232 0.69 ENPP2 (0.43) ENPP2
SCHEMBL31098255 0.68 IDO1 (0.40) ENPP2APPGAAALDH1A1
SCHEMBL16846465 0.68 APP (0.57) APP

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-20210024495-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US disclosed
WO-2021013830-A1 N-METHYL, N-(6-(METHOXY)PYRIDAZIN-3-YL) AMINE DERIVATIVES AS AUTOTAXIN (ATX) MODULATORS FOR THE TREATMENT OF INFLAMMATORY AIRWAY OR FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 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-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 ENPP2 1/4885HDAC1 2222/4885HDAC6 501/4885

“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.