SCHEMBL21988930

SCHEMBL21988930

COC(=O)c1cc(F)c2nc(N)c(OCc3ccc(OC)cc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DHFR P00374 1/20 0.41
NTRK1 P04629 1/20 0.40
CSF1R P07333 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
VNN1 O95497 1/20 0.40
POLB P06746 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL25806794 0.91 MAPT (0.44) CYP3A4KCNH2MAPTRAB9AALDH1A1
SCHEMBL22045233 0.84 NPC1 (0.50) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL21988955 0.82 CYP3A4 (0.53) CYP3A4KCNH2MAPTNPC1RAB9A
SCHEMBL21988979 0.81 NPC1 (0.47) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL22045566 0.80 GRM5 (0.45) MAPTALDH1A1HTTMAOBSMN1; SMN2
SCHEMBL21989045 0.79 PLA2G2A (0.43) CYP3A4KCNH2MAPTNPC1RAB9A
SCHEMBL14699815 0.78 MAPT (0.50) CYP3A4MAPTNPC1RAB9AALDH1A1
SCHEMBL27213893 0.77 LMNA (0.55) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL22045565 0.76 RAB9A (0.44) CYP3A4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20201939 0.75 KMT2A (0.56) CYP3A4MAPTNPC1RAB9AALDH1A1

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 13 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-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 CYP3A4 34/4885KCNH2 1300/4885MAPT 305/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L CYP3A4 34/4885KCNH2 1300/4885MAPT 305/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L CYP3A4 34/4885KCNH2 1300/4885MAPT 305/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L CYP3A4 34/4885KCNH2 1300/4885MAPT 305/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L CYP3A4 34/4885KCNH2 1300/4885MAPT 305/4885
US-20220348555-A1 Chemical Compounds HBZ, HBB, HBS1L CYP3A4 34/4885KCNH2 1300/4885MAPT 305/4885

“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.