SCHEMBL21988643

SCHEMBL21988643

COC(=O)c1ccc(-n2cccn2)c([C@@H](C)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
KCNH2 Q12809 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C8 P10632 1/20 0.44
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
ALDH1A1 P00352 8/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 4/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CASP3 P42574 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
MDM2 Q00987 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL21989072 1.00 MAPT (0.46) MAPTKCNH2CYP2C9CYP2C8MEN1
SCHEMBL21988644 1.00 MAPT (0.46) MAPTKCNH2CYP2C9CYP2C8MEN1
SCHEMBL30046304 1.00 MAPT (0.46) MAPTKCNH2CYP2C9CYP2C8MEN1
SCHEMBL21988899 0.87 MAPT (0.43) MAPTKCNH2CYP2C9CYP2C8MEN1
SCHEMBL16869457 0.81 MAPT (0.48) MAPTCYP2C9MEN1KMT2AALDH1A1
SCHEMBL16869458 0.81 KDM4E (0.54) MAPTCYP2C9MEN1KMT2AALDH1A1
SCHEMBL21988678 0.80 MAPT (0.39) MAPTKCNH2CYP2C9CYP2C8MEN1
SCHEMBL21988886 0.80 MAPT (0.47) MAPTCYP2C9MEN1KMT2AALDH1A1
SCHEMBL24554592 0.79 MAPT (0.49) MAPTCYP2C9MEN1KMT2AALDH1A1
SCHEMBL25046978 0.79 MAPT (0.45) MAPTCYP2C9MEN1KMT2AALDH1A1

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
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

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 MAPT 305/4885KCNH2 1300/4885CYP2C9 66/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L MAPT 305/4885KCNH2 1300/4885CYP2C9 66/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L MAPT 305/4885KCNH2 1300/4885CYP2C9 66/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L MAPT 305/4885KCNH2 1300/4885CYP2C9 66/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L MAPT 305/4885KCNH2 1300/4885CYP2C9 66/4885
US-20220348555-A1 Chemical Compounds HBZ, HBB, HBS1L MAPT 305/4885KCNH2 1300/4885CYP2C9 66/4885

“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.