SCHEMBL21803773

SCHEMBL21803773

Cn1ccc2c(Cc3ccccc3)cncc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
FAAH O00519 1/20 0.36
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
PDE10A Q9Y233 2/20 0.35
PLA2G7 Q13093 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PAX8 Q06710 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 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
SCHEMBL31419752 0.77 NFATC1 (0.37) GPR84HSD11B1KDM4EALDH1A1MAPT
SCHEMBL21803785 0.73 GABRP (0.46) HTR6GPR84KDM4EALDH1A1MAPT
SCHEMBL21803758 0.73 ALKBH5 (0.45) HTR6GPR84PDE10AKDM4EALDH1A1
SCHEMBL9369450 0.72 KDM4E (0.44) KDM4EALDH1A1
SCHEMBL2296919 0.69 CYP11B1 (0.65) CYP11B1CYP11B2PDE10A
SCHEMBL21881935 0.69 ALKBH5 (0.48) HTR6KDM4EALDH1A1MAPT
SCHEMBL12670777 0.69 NFATC1 (0.37) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL12850750 0.68 GPR84 (0.79) HTR6GPR84TSHRALOX12ALDH1A1
SCHEMBL21881937 0.68 BCHE (0.43) HTR6TSHRKDM4EALDH1A1MAPT
SCHEMBL9369717 0.68 KDM4E (0.41) KDM4EALDH1A1MAPT

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-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WATKINS EDMOND BLAKE (US) 2021-12-30 US disclosed
US-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WATKINS EDMOND BLAKE (US) 2021-12-30 US disclosed
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds UNION UNIVERSITY (US) 2021-09-14 US disclosed
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds UNION UNIVERSITY (US) 2021-09-14 US disclosed
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS UNION UNIVERSITY 2020-03-26 US disclosed
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS UNION UNIVERSITY 2020-03-26 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 (3 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-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 HTR6 701/4885GPR84 3251/4885CYP11B1 1017/4885
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds NNMT, CYP4F3, AGPS HTR6 610/4885GPR84 3812/4885CYP11B1 934/4885
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 HTR6 701/4885GPR84 3251/4885CYP11B1 1017/4885

“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.