SCHEMBL20209550

SCHEMBL20209550

O=C(NCc1ncc(Br)cn1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CDK5 Q00535 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 2/20 0.34
CA3 P07451 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL26463315 0.87 RIPK1 (0.34) ALDH1A1ATML3MBTL1SSTR4NPC1
SCHEMBL12874091 0.79 FPR2 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ACDK5
SCHEMBL3716792 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL20209269 0.72 TEK (0.43) CA12CA9TDP1
SCHEMBL18591337 0.72 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1TDP1KDM4ENPC1
SCHEMBL20289377 0.71 TGM2 (0.54) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL20203935 0.70 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL20209641 0.70 SIRT6 (0.40) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL22202148 0.69 MEN1 (0.33) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL411337 0.68 VNN1 (0.47) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL PRAXIS PRECISION MEDICINES, INC. 2023-05-04 US disclosed
WO-2018098491-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-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL SCN1A, SCN3A, SCN2A ALDH1A1 1313/4885POLB 4404/4885SMN1; SMN2 134/4885

“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.