SCHEMBL25877390

SCHEMBL25877390

CCc1cc(CCc2cc(O)c3ccc(F)cc3c2)n(C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.34
KMT2A Q03164 1/20 0.32
CASR P41180 3/20 0.31
P2RX7 Q99572 1/20 0.31
PLA2G2A P14555 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
NR1I2 O75469 1/20 0.30

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
SCHEMBL24075153 0.81 GNRHR (0.31)
SCHEMBL25877384 0.76
SCHEMBL20521740 0.75 KDM4E (0.39) PDE10AKMT2A
SCHEMBL24075154 0.74 P2RX7 (0.30) P2RX7
SCHEMBL20521611 0.74 NQO2 (0.36) PDE10AKMT2ANR1I2
SCHEMBL20521736 0.74 NQO2 (0.36) PDE10AKMT2A
SCHEMBL24123680 0.72 P2RX7 (0.31) P2RX7PLA2G2A
SCHEMBL30037117 0.71 DAO (0.31)
SCHEMBL30036931 0.70 DAO (0.31)
SCHEMBL25934604 0.69 PLA2G2A (0.31) PLA2G2A

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
US-20230234965-A1 N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-07-27 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-20230234965-A1 N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BAK1 PDE10A 4452/4885KMT2A 1264/4885CASR 4866/4885
US-20230234969-A1 N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBIORS OF MCL-1 MCL1, BAK1, BCL2L1 PDE10A 4064/4885KMT2A 2162/4885CASR 4852/4885

“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.