SCHEMBL29629563

SCHEMBL29629563

CC(C)/C(C#N)=N/Nc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
KMT2A Q03164 8/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 4/20 0.38
GAA P10253 3/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
MEN1 O00255 7/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MMP14 P50281 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36

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
SCHEMBL922178 0.77 MAPT (0.57) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29629511 0.76 KDM4E (0.41) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15720603 0.74 MAPT (0.46) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL23788124 0.74 MAPT (0.41) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15720604 0.74 MAPT (0.46) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29629530 0.71 HPGD (0.39) MAPTKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL12297545 0.70 MAPT (0.50) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9422004 0.68 CYP1B1 (0.50) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9422003 0.68 CYP1B1 (0.50) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20533359 0.67 KMT2A (0.43) MAPTKMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-06-02 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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BTK, LYN, LCK MAPT 3683/4885KMT2A 1339/4885SMN1; SMN2 3571/4885

“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.