SCHEMBL21989062

SCHEMBL21989062

C[C@@H](O)c1cc2c(cnn2CC(=O)O)cc1-n1cccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.43
KMO O15229 5/20 0.43
EGFR P00533 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CREBBP Q92793 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL21989064 1.00 KCNH2 (0.43) KCNH2KMOEGFRKDM4EMEN1
SCHEMBL25806751 0.91 KCNH2 (0.43) KCNH2KMOKDM4EMEN1LMNA
SCHEMBL22044747 0.88 KCNH2 (0.44) KCNH2KDM4EMEN1LMNAKMT2A
SCHEMBL30046458 0.88 KCNH2 (0.44) KCNH2KDM4EMEN1LMNAKMT2A
SCHEMBL22046559 0.88 KCNH2 (0.44) KCNH2KDM4EMEN1LMNAKMT2A
SCHEMBL22044826 0.86 KCNH2 (0.42) KCNH2KDM4EMEN1LMNAKMT2A
SCHEMBL25808017 0.83 KCNH2 (0.41) KCNH2MEN1LMNAKMT2AGAA
SCHEMBL21988960 0.82 KMO (0.44) KCNH2KMOEGFRKDM4EMEN1
SCHEMBL25806749 0.80 KCNH2 (0.44) KCNH2KDM4EMEN1LMNAKMT2A
SCHEMBL21989032 0.78 KCNH2 (0.42) KCNH2KDM4EMEN1LMNAKMT2A

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 6 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
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
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 (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 1300/4885KMO 690/4885EGFR 4769/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L KCNH2 1300/4885KMO 690/4885EGFR 4769/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L KCNH2 1300/4885KMO 690/4885EGFR 4769/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L KCNH2 1300/4885KMO 690/4885EGFR 4769/4885

“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.