SCHEMBL21988705

SCHEMBL21988705

CC(=O)c1nc(C(N)=O)ccc1-n1cccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HCRTR2 O43614 7/20 0.38
HCRTR1 O43613 5/20 0.38
KCNH2 Q12809 2/20 0.36
LRRK2 Q5S007 1/20 0.36
SYK P43405 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
TP53 P04637 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TDO2 P48775 1/20 0.34

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
SCHEMBL21988725 0.87 LMNA (0.40) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL21988951 0.84 MAPT (0.40) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL21988635 0.80 KMT2A (0.40) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL21989073 0.78 KCNH2 (0.39) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL22045989 0.78 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL21995703 0.76 LMNA (0.36) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL21988904 0.75 HCRTR1 (0.44) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL21989007 0.73 PTGDR (0.41) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL2884579 0.72 IRAK4 (0.45) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL30761115 0.72 IRAK4 (0.45) KDM4EMEN1ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12103921-B2 Chemical compounds PFIZER INC. (US) 2024-10-01 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
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-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-20220348555-A1 Chemical Compounds PFIZER INC. (US) 2022-11-03 US disclosed
EP-3886984-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN Pfizer Inc. (US) 2021-10-06 EP disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 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
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 WO 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 (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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L KDM4E 2745/4885MEN1 3178/4885ALDH1A1 1737/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L KDM4E 2745/4885MEN1 3178/4885ALDH1A1 1737/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L KDM4E 2745/4885MEN1 3178/4885ALDH1A1 1737/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L KDM4E 2745/4885MEN1 3178/4885ALDH1A1 1737/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L KDM4E 2745/4885MEN1 3178/4885ALDH1A1 1737/4885
US-20220348555-A1 Chemical Compounds HBZ, HBB, HBS1L KDM4E 2745/4885MEN1 3178/4885ALDH1A1 1737/4885

“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.