SCHEMBL21881937

SCHEMBL21881937

Cc1ccc2c(c1)c1c(Cc3ccccc3)cncc1n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NR1I2 O75469 1/20 0.40
AHR P35869 1/20 0.40
SLC5A2 P31639 2/20 0.39
FGFR1 P11362 1/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36

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 0.85 GABRP (0.46) KMT2AMEN1TOP2AHTR6KDM4E
SCHEMBL24138085 0.84 GABRP (0.43) BCHEACHEKMT2AMEN1TP53
SCHEMBL21881961 0.84 TP53 (0.34) BCHEACHEKMT2AMEN1NR1I2
SCHEMBL21881935 0.78 ALKBH5 (0.48) KMT2AMEN1SLC5A2LMNACYP3A4
SCHEMBL21803727 0.76 MEN1 (0.42) BCHEACHEKMT2AMEN1NR1I2
SCHEMBL21881944 0.75 BCHE (0.43) BCHEACHEKMT2AMEN1TOP2A
SCHEMBL21881938 0.75 GABRP (0.43) LMNATOP2AKDM4EALDH1A1MAPT
SCHEMBL21803749 0.73 CYP11B1 (0.49) BCHEACHEKMT2AMEN1TP53
SCHEMBL21881941 0.73 KMT2A (0.46) KMT2AMEN1FGFR1TP53POLB
SCHEMBL21803784 0.72 CYP11B2 (0.40) KMT2ALMNATOP2AHTT

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 BCHE 2560/4885ACHE 931/4885KMT2A 2316/4885
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds NNMT, CYP4F3, AGPS BCHE 2622/4885ACHE 939/4885KMT2A 2314/4885
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 BCHE 2560/4885ACHE 931/4885KMT2A 2316/4885

“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.