SCHEMBL21881961

SCHEMBL21881961

Cc1ccc2c(c1)c1c(Cc3ccccc3)cncc1n2-c1ccc(Cc2cncc3c2c2ccccc2n3C)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.34
THRB P10828 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TOP2A P11388 1/20 0.33
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
FGFR1 P11362 1/20 0.31
SLC5A2 P31639 1/20 0.31
CHRM1 P11229 1/20 0.31
TNF P01375 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL21881937 0.84 BCHE (0.43) TP53BCHEACHETOP2APOLB
SCHEMBL21803785 0.79 GABRP (0.46) TOP2AKMT2AGABRPGABRDGABRA1
SCHEMBL24138085 0.78 GABRP (0.43) TP53BCHEACHETOP2APOLB
SCHEMBL21881938 0.76 GABRP (0.43) TOP2ALMNAGABRPGABRDGABRA1
SCHEMBL21881929 0.75 KDM4E (0.47)
SCHEMBL13141876 0.70 KDM4E (0.47) POLBKMT2ALMNATNFMEN1
SCHEMBL21881935 0.70 ALKBH5 (0.48) KMT2ALMNASLC5A2GABRPGABRD
SCHEMBL21881944 0.70 BCHE (0.43) BCHEACHETOP2AKMT2AGABRP
SCHEMBL21803752 0.69 LMNA (0.44) TOP2AKMT2ALMNAGABRPGABRD
SCHEMBL21803749 0.68 CYP11B1 (0.49) TP53BCHEACHEKMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds NNMT, CYP4F3, AGPS TP53 1801/4885THRB 4835/4885BCHE 2622/4885
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 TP53 1913/4885THRB 4769/4885BCHE 2560/4885

“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.