SCHEMBL24123729

SCHEMBL24123729

COc1ccc(COc2cc(CCc3cc(Br)nn3CCO)cc3cc(F)ccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 5/20 0.38
KMT2A Q03164 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 1/20 0.35
ABCB1 P08183 2/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SYK P43405 2/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL24123490 0.91 F2RL3 (0.38) F2RL3FFAR4FFAR1ABCB1CTSL
SCHEMBL24123680 0.73 P2RX7 (0.31)
SCHEMBL24123651 0.69 HTR2A (0.35) FFAR4
SCHEMBL2550366 0.62 FFAR4 (0.49) FFAR4FFAR1ABCB1KEAP1NFE2L2
SCHEMBL24075154 0.62 P2RX7 (0.30)
SCHEMBL28921334 0.62 MAOB (0.51) FFAR4FFAR1ABCB1KEAP1NFE2L2
SCHEMBL22070810 0.61 LTA4H (0.46) FFAR1ABCB1KEAP1NFE2L2
SCHEMBL22070546 0.60 LTA4H (0.48) FFAR1ABCB1
SCHEMBL14700006 0.60 APP (0.47) ABCB1NPC1RAB9A
SCHEMBL21988922 0.60 NPC1 (0.53) KMT2ANPC1RAB9A

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-20230234969-A1 N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBIORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-07-27 US disclosed
US-20230234969-A1 N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBIORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-07-27 US disclosed
WO-2021255257-A1 N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2021-12-23 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-20230234969-A1 N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBIORS OF MCL-1 MCL1, BAK1, BCL2L1 F2RL3 4223/4885KMT2A 2162/4885FFAR4 4841/4885

“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.