SCHEMBL799308

SCHEMBL799308

Cc1cc(C(C)C)nc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CRHBP P24387 1/20 0.34
CYP2C19 P33261 1/20 0.34
CRHR2 Q13324 1/20 0.34
POLB P06746 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SORD Q00796 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GAA P10253 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL13790110 0.87 NOS3 (0.50) NOS3NOS1NOS2TSHRCYP3A4
SCHEMBL23625495 0.81 POLB (0.31) POLBAPOBEC3GSORDSLC6A3GAA
SCHEMBL21762127 0.81 POLB (0.31) POLBAPOBEC3GSORDSLC6A3GAA
SCHEMBL10167712 0.78 NOS3 (0.43) NOS3NOS1NOS2TSHRCYP3A4
SCHEMBL19479982 0.78 ALDH1A1 (0.32) SORDSLC6A3LMNAKDM4EALDH1A1
SCHEMBL3804897 0.76 NOS3 (0.42) NOS3NOS1NOS2TSHRCYP3A4
SCHEMBL11547726 0.76 NOS3 (0.42) NOS3NOS1NOS2TSHRCYP3A4
SCHEMBL11594516 0.76 NOS3 (0.52) NOS3NOS1NOS2TSHRCYP2D6
SCHEMBL24287972 0.76 NOS3 (0.42) NOS3NOS1NOS2TSHRCYP3A4
SCHEMBL7769935 0.76 NOS2 (0.63) NOS3NOS1NOS2TSHRCYP3A4

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024138206-A1 FLUOROPYRIDOPYRIMIDINE AND FLUOROQUINAZOLINE DERIVATIES AND METHODS OF USE THEREOF FRONTIER MEDICINES CORPORATION (US) 2024-06-27 WO disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
WO-2023150394-A1 METHODS FOR TREATMENT OF CANCER FRONTIER MEDICINES CORPORATION (US) 2023-08-10 WO disclosed
US-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS SUDO BIOSCIENCES LIMITED (GB) 2023-08-03 US disclosed
US-20230183264-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2023-06-15 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230183264-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2023-06-15 US disclosed
US-20230174553-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2023-06-08 US disclosed
US-20230174553-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2023-06-08 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-20080207903-A1 Chemical Process ASTRAZENECA UK LIMITED (GB) 2008-08-28 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-20070099920-A1 Benzimidazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-03 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 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 (12 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD NOS3 2905/4885NOS1 3357/4885NOS2 3730/4885
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 NOS3 585/4885NOS1 682/4885NOS2 617/4885
US-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS TYK2, PDXK, JAK1 NOS3 4221/4885NOS1 4231/4885NOS2 3983/4885
US-20230174553-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 3202/4885NOS1 3929/4885NOS2 3599/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NOS3 900/4885NOS1 894/4885NOS2 1070/4885
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 NOS3 333/4885NOS1 182/4885NOS2 190/4885
US-20230183264-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 3202/4885NOS1 3929/4885NOS2 3599/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 NOS3 826/4885NOS1 394/4885NOS2 589/4885
US-20070099920-A1 Benzimidazoles useful as inhibitors of protein kinases PDK1, AURKC, PIM3 NOS3 1424/4885NOS1 2795/4885NOS2 2565/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 NOS3 2490/4885NOS1 2425/4885NOS2 2495/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 NOS3 333/4885NOS1 182/4885NOS2 190/4885
US-20080207903-A1 Chemical Process CYP2C9, CYP2B6, CYP7A1 NOS3 2576/4885NOS1 1678/4885NOS2 1504/4885

“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.