SCHEMBL21881982

SCHEMBL21881982

ISn1c2ccccc2c2c(Cc3ccccc3)cncc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
PAX8 Q06710 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 2/20 0.32
MET P08581 1/20 0.31
PDE10A Q9Y233 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SLC5A2 P31639 1/20 0.30

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
SCHEMBL21803785 0.79 GABRP (0.46) HTR6PAX8MEN1KMT2A
SCHEMBL21803779 0.78 CYP19A1 (0.56) MEN1KMT2ACYP19A1
SCHEMBL21881929 0.78 KDM4E (0.47) HTR6PAX8CYP11B1CYP11B2
SCHEMBL21803763 0.76 HDAC1 (0.37) HTR6PAX8BCL2BCL2L1
SCHEMBL21803730 0.73 HTR6 (0.42) HTR6
SCHEMBL24138085 0.70 GABRP (0.43) MEN1KMT2A
SCHEMBL21881936 0.70 CYP11B1 (0.41) PAX8CYP11B1CYP11B2BCL2BCL2L1
SCHEMBL21881944 0.69 BCHE (0.43) MEN1KMT2ACYP19A1
SCHEMBL21881935 0.69 ALKBH5 (0.48) HTR6MEN1KMT2ASLC5A2
SCHEMBL2296919 0.65 CYP11B1 (0.65) CYP11B1CYP11B2MEN1KMT2APDE10A

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 3 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-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

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 701/4885PAX8 2192/4885CYP11B1 1017/4885
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds NNMT, CYP4F3, AGPS HTR6 610/4885PAX8 2254/4885CYP11B1 934/4885
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 HTR6 701/4885PAX8 2192/4885CYP11B1 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.