SCHEMBL23753198

SCHEMBL23753198

CCOC(=O)c1[nH]c2c(-c3c(CO)nn(C)c3C)c(Cl)ccc2c1CCCOc1cccc2cc(F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAD Q92934 9/20 0.51
BCL2 P10415 6/20 0.51
MCL1 Q07820 13/20 0.49
EEF2K O00418 1/20 0.49
MARK3 P27448 1/20 0.49
AXL P30530 1/20 0.49
BCL6 P41182 1/20 0.49
NEK4 P51957 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKAA1 Q13131 1/20 0.49
CAMK2B Q13554 1/20 0.49
CAMK2G Q13555 1/20 0.49
CAMK2D Q13557 1/20 0.49
MARK2 Q7KZI7 1/20 0.49
PIM3 Q86V86 1/20 0.49
HIPK2 Q9H2X6 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP3K20 Q9NYL2 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
BCL2L1 Q07817 8/20 0.48

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
SCHEMBL22436851 0.93 BAD (0.53) BADBCL2MCL1BCL2L1PMAIP1
SCHEMBL22436839 0.93 MCL1 (0.57) BADBCL2MCL1EEF2KMARK3
SCHEMBL22436863 0.92 MCL1 (0.58) BADBCL2MCL1EEF2KMARK3
SCHEMBL30000272 0.92 MCL1 (0.56) BADBCL2MCL1EEF2KMARK3
SCHEMBL24745108 0.92 MCL1 (0.56) BADBCL2MCL1EEF2KMARK3
SCHEMBL22436825 0.90 BAD (0.52) BADBCL2MCL1BCL2L1PMAIP1
SCHEMBL22437481 0.89 MCL1 (0.47) BADBCL2MCL1EEF2KMARK3
SCHEMBL22437444 0.89 MCL1 (0.47) BADBCL2MCL1EEF2KMARK3
SCHEMBL22436812 0.89 BAD (0.48) BADBCL2MCL1EEF2KMARK3
SCHEMBL23828817 0.87 MCL1 (0.50) BADBCL2MCL1EEF2KMARK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-10-25 US disclosed
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-10-25 US disclosed
EP-3710456-B1 MACROCYCLIC INDOLE DERIVATIVES BROAD INST INC (US) 2022-09-21 EP disclosed
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-09-20 US disclosed
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-09-20 US disclosed
US-11401278-B2 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-08-02 US disclosed
US-20210292341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-09-23 US disclosed
US-20210292341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-09-23 US disclosed
US-20210277022-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-09-09 US disclosed
US-20210277022-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-09-09 US disclosed
US-20210253598-A1 ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 US disclosed
US-20210253598-A1 ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 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 (6 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-20210292341-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 BAD 332/4885BCL2 741/4885MCL1 56/4885
US-11401278-B2 Macrocyclic indole derivatives CCND2, CCNA1, CCNT2 BAD 332/4885BCL2 741/4885MCL1 56/4885
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 BAD 333/4885BCL2 430/4885MCL1 26/4885
US-20210253598-A1 ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES AHR, IDO1, CCNA1 BAD 352/4885BCL2 685/4885MCL1 54/4885
US-20210277022-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES CCNT2, CCNL2, CCND2 BAD 333/4885BCL2 430/4885MCL1 26/4885
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 BAD 333/4885BCL2 430/4885MCL1 26/4885

“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.