SCHEMBL20190458

SCHEMBL20190458

COCc1cc(OC(F)(F)F)ccc1-c1ccn2ncc(I)c2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
SCN5A Q14524 4/20 0.47
PIM1 P11309 11/20 0.36
PIM2 Q9P1W9 9/20 0.36
FLT3 P36888 2/20 0.35
KCNH2 Q12809 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20190843 0.88 SCN5A (0.61) CYP1A2SCN5APIM1PIM2FLT3
SCHEMBL20191052 0.84 SCN5A (0.50) SCN5APIM1PIM2MAOAMAOB
SCHEMBL20190776 0.84 SCN5A (0.58) CYP1A2SCN5APIM1PIM2FLT3
SCHEMBL20190267 0.80 SCN5A (0.59) CYP1A2SCN5AMAOAMAOB
SCHEMBL20190535 0.77 SCN5A (0.73) CYP1A2SCN5APIM1PIM2FLT3
SCHEMBL23572407 0.72 SCN5A (0.64) CYP1A2SCN5APIM1PIM2FLT3
SCHEMBL20190080 0.72 SCN5A (0.65) SCN5APIM1PIM2MAOAMAOB
SCHEMBL20189286 0.71 SCN5A (0.67) CYP1A2SCN5APIM1PIM2FLT3
SCHEMBL24024509 0.71 CYP1A2 (0.48) CYP1A2PIM1PIM2MAOAMAOB
SCHEMBL20190540 0.70 CYP1A2 (0.70) CYP1A2SCN5APIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885PIM1 4804/4885

“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.