SCHEMBL22044747

SCHEMBL22044747

COC(=O)Cn1ncc2cc(-n3cccn3)c([C@@H](C)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
SYK P43405 1/20 0.38
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
G6PD P11413 1/20 0.32
BRD4 O60885 1/20 0.32
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL22046559 1.00 KCNH2 (0.44) KCNH2SYKKDM4EHSD17B10NPC1
SCHEMBL30046458 1.00 KCNH2 (0.44) KCNH2SYKKDM4EHSD17B10NPC1
SCHEMBL22044826 0.89 KCNH2 (0.42) KCNH2SYKKDM4EKMT2AMEN1
SCHEMBL21989062 0.88 KCNH2 (0.43) KCNH2KDM4EHSD17B10NPC1RAB9A
SCHEMBL25806751 0.88 KCNH2 (0.43) KCNH2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL21989064 0.88 KCNH2 (0.43) KCNH2KDM4EHSD17B10NPC1RAB9A
SCHEMBL25808017 0.86 KCNH2 (0.41) KCNH2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30046479 0.83 SYK (0.39) KCNH2SYKKDM4EHSD17B10NPC1
SCHEMBL22045489 0.83 SYK (0.39) KCNH2SYKKDM4EHSD17B10NPC1
SCHEMBL22045251 0.81 KCNH2 (0.33) KCNH2SYKKDM4EHSD17B10NPC1

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 5 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
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 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 (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 KCNH2 1300/4885SYK 1075/4885KDM4E 2745/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L KCNH2 1300/4885SYK 1075/4885KDM4E 2745/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L KCNH2 1300/4885SYK 1075/4885KDM4E 2745/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L KCNH2 1300/4885SYK 1075/4885KDM4E 2745/4885

“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.