SCHEMBL20781840

SCHEMBL20781840

CC(C)(C)Cc1ccc(-c2ccccc2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 5/20 0.62
▸ CYP2A6 P11509 1/20 0.44
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ CSNK2A2 P19784 2/20 0.40
▸ CSNK2B P67870 2/20 0.40
▸ CSNK2A3 Q8NEV1 2/20 0.40
▸ RORC P51449 1/20 0.40
▸ CXCR3 P49682 1/20 0.39
▸ MAOB P27338 2/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ GRM2 Q14416 2/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ PSMB5 P28074 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL20782029 0.81 ALOX5 (0.50) CSNK2A1ESR1
SCHEMBL25765785 0.81 ESR2 (0.50) CSNK2A1CYP2A6ESR1MMP2MMP3
SCHEMBL19567203 0.81 CSNK2A1 (0.64) CSNK2A1CYP2A6CSNK2A2CSNK2BCSNK2A3
SCHEMBL17859650 0.80 CSNK2A1 (0.68) CSNK2A1CYP2A6CSNK2A2CSNK2BCSNK2A3
SCHEMBL11830040 0.79 CSNK2A1 (0.50) CSNK2A1PTGES2RORCMMP2MMP3
SCHEMBL3900981 0.78 CSNK2A1 (0.70) CSNK2A1CYP2A6CSNK2A2CSNK2BCSNK2A3
SCHEMBL3912942 0.78 CSNK2A1 (0.70) CSNK2A1CYP2A6CSNK2A2CSNK2BCSNK2A3
SCHEMBL12866824 0.78 AOC3 (0.49) CYP2A6MAOBHTR7
SCHEMBL20781813 0.77 CYP1A1 (0.44) CYP2A6MMP2MMP3HTR7
SCHEMBL27992345 0.77 CSNK2A1 (0.58) CSNK2A1HSD11B1PSMB5

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-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 — — 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-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 CSNK2A1 87/4885CYP2A6 3670/4885PTGES2 518/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 CSNK2A1 87/4885CYP2A6 3670/4885PTGES2 518/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 CSNK2A1 87/4885CYP2A6 3670/4885PTGES2 518/4885

“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.

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