SCHEMBL23518565

SCHEMBL23518565

Cc1c(NC(=O)c2cncs2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
LIPE Q05469 8/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GRM4 Q14833 1/20 0.38
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CSF1R P07333 1/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL20293692 0.79 LIPE (0.39) LIPENPC1RAB9AATMMAPT
SCHEMBL16339752 0.79 GRM5 (0.40) KMT2ALIPENPC1RAB9AGRM5
SCHEMBL16337053 0.79 BTK (0.43) LIPEGRM4
SCHEMBL29709486 0.79 BTK (0.43) LIPEGRM4
SCHEMBL26109550 0.78 POLB (0.50) KMT2ALIPENPC1RAB9ATP53
SCHEMBL105072 0.78 DHPS (0.50) RAB9AALDH1A1LMNABACE1
SCHEMBL2992272 0.78 LIPE (0.51) KMT2ALIPENPC1RAB9AMAPT
SCHEMBL30483107 0.78 ALDH1A1 (0.44) LIPEALDH1A1LMNA
SCHEMBL21929107 0.78 ALDH1A1 (0.44) LIPEALDH1A1LMNA
SCHEMBL13893964 0.77 MAPT (0.49) KMT2ALIPENPC1RAB9AMAPT

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-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 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-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 KMT2A 372/4885LIPE 4591/4885NPC1 2919/4885

“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.