SCHEMBL19690339

SCHEMBL19690339

CC(C)(O)C1CCc2c([nH]c3c(C(N)=O)cc(F)c(-c4cccc5c4CCN(C(=O)O)C5)c23)C1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.85
JAK2 O60674 4/20 0.59
LCK P06239 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C8 P10632 1/20 0.57
CYP2C9 P11712 1/20 0.57
SRC P12931 1/20 0.57
CYP2C19 P33261 1/20 0.57
TEC P42680 1/20 0.57
TXK P42681 1/20 0.57
BLK P51451 1/20 0.57
BMX P51813 1/20 0.57
CD69 Q07108 1/20 0.57
ITK Q08881 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL19690340 1.00 BTK (0.85) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL19690375 0.92 BTK (0.82) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL19690239 0.92 BTK (1.00) BTK
SCHEMBL19690374 0.92 BTK (0.82) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL19279328 0.92 BTK (1.00) BTK
SCHEMBL19279030 0.87 BTK (0.65) BTKJAK2LCKTECTXK
SCHEMBL19690324 0.85 BTK (0.70) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL19690323 0.85 BTK (0.70) BTKJAK2LCKCYP3A4CYP2C8
SCHEMBL21837186 0.84 BTK (1.00) BTK
SCHEMBL21837182 0.84 BTK (1.00) BTK

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
EP-3209652-B1 TRICYCLIC ATROPISOMER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-15 EP disclosed
US-10023534-B2 Carbazole and tetrahydrocarbazole compounds useful as inhibitors of BTK BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20170355673-A1 TRICYCLIC ATROPISOMER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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 (2 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-20170355673-A1 TRICYCLIC ATROPISOMER COMPOUNDS BTK, LCK, SYK BTK 1/4885JAK2 6/4885LCK 2/4885
US-10023534-B2 Carbazole and tetrahydrocarbazole compounds useful as inhibitors of BTK BTK, JAK2, SYK BTK 1/4885JAK2 2/4885LCK 15/4885

“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.