SCHEMBL3486701

SCHEMBL3486701

CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 15/20 1.00
RET P07949 2/20 1.00
CDK2 P24941 2/20 1.00
GSK3B P49841 2/20 1.00
ITK Q08881 2/20 1.00
MERTK Q12866 2/20 1.00
PRKAA1 Q13131 2/20 1.00
ROCK1 Q13464 2/20 1.00
MAP3K6 O95382 2/20 0.98
CLK2 P49760 3/20 0.49
CLK1 P49759 2/20 0.49
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
PDGFRA P16234 1/20 0.48
HRH1 P35367 1/20 0.48
FLT3 P36888 1/20 0.48
CLK3 P49761 1/20 0.48
DYRK1A Q13627 1/20 0.48
SIK2 Q9H0K1 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
Hydrochloric Acid SCHEMBL3485627 0.99 MAP3K5 (1.00) MAP3K5RETCDK2GSK3BITK
SCHEMBL3486586 0.96 MAP3K5 (0.92) MAP3K5RETCDK2GSK3BITK
SCHEMBL3486598 0.93 MAP3K5 (1.00) MAP3K5RETCDK2GSK3BITK
Hydrochloric Acid SCHEMBL3486523 0.92 MAP3K5 (0.98) MAP3K5RETCDK2GSK3BITK
SCHEMBL3485441 0.91 MAP3K5 (0.83) MAP3K5RETCDK2GSK3BITK
SCHEMBL3486464 0.90 MAP3K5 (1.00) MAP3K5RETCDK2GSK3BITK
SCHEMBL3486875 0.89 MAP3K5 (0.80) MAP3K5RETCDK2GSK3BITK
SCHEMBL3486241 0.89 MAP3K5 (0.84) MAP3K5RETCDK2GSK3BITK
Hydrochloric Acid SCHEMBL3486486 0.89 MAP3K5 (0.98) MAP3K5RETCDK2GSK3BITK
SCHEMBL3486021 0.88 MAP3K5 (0.86) MAP3K5RETCDK2GSK3BITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3955954-A1 COMBINATION THERAPY FOR MODULATING BILE ACID HOMEOSTASIS AND TREATMENT OF BILE ACID DISORDERS AND DISEASES NGM Biopharmaceuticals, Inc. (US) 2022-02-23 EP claimed
US-20200390858-A1 Combination Therapy for Modulating Bile Acid Homeostasis and Treatment of Bile Acid Disorders and Diseases NGM BIOPHARMACEUTICALS, INC. 2020-12-17 US claimed
WO-2020214753-A1 COMBINATION THERAPY FOR MODULATING BILE ACID HOMEOSTASIS AND TREATMENT OF BILE ACID DISORDERS AND DISEASES NGM BIOPHARMACEUTICALS, INC. (US) 2020-10-22 WO claimed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US claimed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
EP-3955954-A1 COMBINATION THERAPY FOR MODULATING BILE ACID HOMEOSTASIS AND TREATMENT OF BILE ACID DISORDERS AND DISEASES NGM Biopharmaceuticals, Inc. (US) 2022-02-23 EP disclosed
US-20200390858-A1 Combination Therapy for Modulating Bile Acid Homeostasis and Treatment of Bile Acid Disorders and Diseases NGM BIOPHARMACEUTICALS, INC. 2020-12-17 US disclosed
WO-2020214753-A1 COMBINATION THERAPY FOR MODULATING BILE ACID HOMEOSTASIS AND TREATMENT OF BILE ACID DISORDERS AND DISEASES NGM BIOPHARMACEUTICALS, INC. (US) 2020-10-22 WO disclosed
WO-2020205023-A1 COMPOSITIONS AND METHODS TO TREAT NON-ALCOHOLIC FATTY LIVER DISEASES (NAFLD) Coherus Biosciences, Inc. (US) 2020-10-08 WO disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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 (1 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 MAP3K5 42/4885RET 1447/4885CDK2 914/4885

“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.