SCHEMBL20865393

SCHEMBL20865393

CC(C)(C)c1cnccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 2/20 0.42
NCOA3 Q9Y6Q9 1/20 0.39
SLC22A12 Q96S37 5/20 0.35
SLC22A6 Q4U2R8 2/20 0.35
SLC22A11 Q9NSA0 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HASPIN Q8TF76 1/20 0.35
AR P10275 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HIPK2 Q9H2X6 1/20 0.33

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
SCHEMBL6672265 0.84 HTT (0.42) KMT2AMEN1HTTNCOA3SLC22A12
SCHEMBL34463384 0.80 KMT2A (0.44) KMT2AMEN1HTTNCOA3AR
SCHEMBL6122108 0.80 KMT2A (0.44) KMT2AMEN1HTTNCOA3AR
SCHEMBL29546988 0.73 HTT (0.50) KMT2AMEN1HTTNCOA3ALDH1A1
SCHEMBL1705592 0.73 KIF11 (0.39) ALDH1A1CYP19A1LATS1
SCHEMBL20043 0.73 HTT (0.50) KMT2AMEN1HTTNCOA3ALDH1A1
SCHEMBL30947612 0.73 HTT (0.40) KMT2AMEN1HTTNCOA3SLC22A12
SCHEMBL342957 0.72
SCHEMBL30706761 0.72
SCHEMBL1025006 0.72 KMT2A (0.56) KMT2AMEN1HTTNCOA3SLC22A12

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-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 US disclosed
US-20200270246-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. 2020-08-27 US disclosed
US-10669246-B2 Benzothiazol compounds and methods using the same for treating neurodegenerative disorders 1ST Biotherapeutics, Inc. (KR) 2020-06-02 US disclosed
US-20190100500-A1 BENZOTHIAZOL COMPOUNDS AND METHODS USING THE SAME FOR TREATING NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. 2019-04-04 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 KMT2A 2634/4885MEN1 2823/4885HTT 3881/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 KMT2A 2634/4885MEN1 2823/4885HTT 3881/4885
US-20190100500-A1 BENZOTHIAZOL COMPOUNDS AND METHODS USING THE SAME FOR TREATING NEURODEGENERATIVE DISORDERS ABL2, ABL1, MAPT KMT2A 1087/4885MEN1 3905/4885HTT 20/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 KMT2A 3065/4885MEN1 408/4885HTT 1361/4885
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC KMT2A 3115/4885MEN1 950/4885HTT 2198/4885
US-10669246-B2 Benzothiazol compounds and methods using the same for treating neurodegenerative disorders ABL2, ABL1, MAPT KMT2A 1087/4885MEN1 3905/4885HTT 20/4885
US-20200270246-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT KMT2A 2106/4885MEN1 3004/4885HTT 3/4885

“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.