SCHEMBL21719486

SCHEMBL21719486

Cc1cn(C)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 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
SCHEMBL14506376 0.82 ALDH1A1 (0.38) CYP1A2CYP2C9ALDH1A1SMN1; SMN2POLB
SCHEMBL6981521 0.79 HSD11B1 (0.35)
SCHEMBL348022 0.75
SCHEMBL21719710 0.70 KDM4E (0.31) CYP1A2ALDH1A1SMN1; SMN2ALOX15MAPT
SCHEMBL21719703 0.70 SMN1; SMN2 (0.31) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL21719674 0.70 KDM4E (0.31) CYP1A2ALDH1A1SMN1; SMN2ALOX15MAPT
SCHEMBL17589209 0.67 BRD4 (0.35) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL21719696 0.67 ALOX15 (0.47) CYP1A2ALDH1A1SMN1; SMN2POLBCA2
SCHEMBL21721067 0.65 IMPDH2 (0.34) ALDH1A1KDM4E
SCHEMBL14770142 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718617-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells2 agonists and methods of use AMGEN INC. (US) 2023-08-08 US disclosed
US-20230144581-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. 2023-05-11 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (4 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CYP1A2 6/4885GABRA1 1656/4885GABRB2 2694/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CYP1A2 6/4885GABRA1 1656/4885GABRB2 2694/4885
US-11718617-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells2 agonists and methods of use MSR1, FPR2, CD14 CYP1A2 355/4885GABRA1 394/4885GABRB2 349/4885
US-20230144581-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 CYP1A2 355/4885GABRA1 394/4885GABRB2 349/4885

“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.