SCHEMBL22045489

SCHEMBL22045489

COC(=O)Cn1ncc2cc(-n3cccn3)c(C(C)=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
G6PD P11413 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HPGD P15428 1/20 0.33
BRD4 O60885 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
SCHEMBL30046479 1.00 SYK (0.39) SYKKDM4EHSD17B10KCNH2NPC1
SCHEMBL30045875 0.89 KCNH2 (0.35) SYKKDM4EKCNH2MEN1KMT2A
SCHEMBL22044745 0.89 KCNH2 (0.35) SYKKDM4EKCNH2MEN1KMT2A
SCHEMBL25806736 0.89 ALDH1A1 (0.36) KDM4EKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL21988960 0.88 KMO (0.44) KDM4EHSD17B10KCNH2MEN1KMT2A
SCHEMBL22044746 0.86 MEN1 (0.37) KCNH2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30046458 0.83 KCNH2 (0.44) SYKKDM4EHSD17B10KCNH2NPC1
SCHEMBL22046559 0.83 KCNH2 (0.44) SYKKDM4EHSD17B10KCNH2NPC1
SCHEMBL22044747 0.83 KCNH2 (0.44) SYKKDM4EHSD17B10KCNH2NPC1
SCHEMBL22046557 0.81 KCNH2 (0.35) KDM4EKCNH2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 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 (4 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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L SYK 1075/4885KDM4E 2745/4885HSD17B10 1652/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L SYK 1075/4885KDM4E 2745/4885HSD17B10 1652/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L SYK 1075/4885KDM4E 2745/4885HSD17B10 1652/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L SYK 1075/4885KDM4E 2745/4885HSD17B10 1652/4885

“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.