SCHEMBL22169042

SCHEMBL22169042

CC(C)(C)c1cncc(OC(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CACNA1H O95180 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 0.32
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
USP36 Q9P275 1/20 0.30
RXRA P19793 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL24656387 0.87 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL21849188 0.83 CHRNB2 (0.41) PRMT5WDR77CYP3A4GRIN1GRIN2B
SCHEMBL22169043 0.83 PRMT5 (0.33) PRMT5WDR77GRIN1GRIN2BHDAC6
SCHEMBL24768968 0.77 HDAC6 (0.33) HDAC6RXRA
SCHEMBL91426 0.76 CYP1A1 (0.42) CYP3A4CYP11B1CYP11B2
SCHEMBL25744953 0.76 AKT1 (0.35) POLB
SCHEMBL24702065 0.76 CCR6 (0.41) PRMT5WDR77
SCHEMBL31610737 0.75 CYP1A1 (0.45) CYP3A4GRIN1GRIN2BCYP11B1CYP11B2
SCHEMBL10174187 0.75 CHRNB1 (0.36) PRMT5WDR77GRIN1GRIN2BHDAC6
SCHEMBL22905259 0.74 GRIN1 (0.39) PRMT5WDR77GRIN1GRIN2BHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-11028068-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-06-08 US disclosed
US-20200207737-A1 SOMATASTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-07-02 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 (7 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-11691979-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 PRMT5 122/4885WDR77 1001/4885CACNA1H 3847/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 PRMT5 122/4885WDR77 1001/4885CACNA1H 3847/4885
US-20200207737-A1 SOMATASTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 PRMT5 3456/4885WDR77 3954/4885CACNA1H 717/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PRMT5 3181/4885WDR77 2088/4885CACNA1H 3990/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 PRMT5 122/4885WDR77 1001/4885CACNA1H 3847/4885
US-11028068-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 PRMT5 1747/4885WDR77 3960/4885CACNA1H 1554/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PRMT5 3181/4885WDR77 2088/4885CACNA1H 3990/4885

“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.